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Chemistry, part 2

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > isoquinolines > n-[(1r,3s,4as,9ar)-3-[2-(3,4-dihydro-1h-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1h-pyrano[3,4-b]benzofuran-6-yl]-4-fluorobenzenesulfonamide
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > isoquinolines > n-[(1r,3s,4as,9ar)-3-[2-(3,4-dihydro-1h-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1h-pyrano[3,4-b]benzofuran-6-yl]-4-fluorobenzenesulfonamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > isoquinolines > n-[(1r,3s,4as,9ar)-3-[2-(3,4-dihydro-1h-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1h-pyrano[3,4-b]benzofuran-6-yl]-4-fluorobenzenesulfonamide
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > isoquinolines > n-[(1r,3s,4as,9ar)-3-[2-(3,4-dihydro-1h-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1h-pyrano[3,4-b]benzofuran-6-yl]-4-fluorobenzenesulfonamide
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > isoquinolines > n-[(1r,3s,4as,9ar)-3-[2-(3,4-dihydro-1h-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1h-pyrano[3,4-b]benzofuran-6-yl]-4-fluorobenzenesulfonamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > isoquinolines > n-[(1r,3s,4as,9ar)-3-[2-(3,4-dihydro-1h-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1h-pyrano[3,4-b]benzofuran-6-yl]-4-fluorobenzenesulfonamide
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > isoquinolines > n-[(1r,3s,4as,9ar)-3-[2-(3,4-dihydro-1h-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1h-pyrano[3,4-b]benzofuran-6-yl]-4-fluorobenzenesulfonamide

Preferred term

n-[(1r,3s,4as,9ar)-3-[2-(3,4-dihydro-1h-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1h-pyrano[3,4-b]benzofuran-6-yl]-4-fluorobenzenesulfonamide  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C29H29FN2O6S

inchi

  • InChI=1S/C29H29FN2O6S/c30-20-5-8-23(9-6-20)39(35,36)31-21-7-10-26-24(13-21)25-14-22(37-27(17-33)29(25)38-26)15-28(34)32-12-11-18-3-1-2-4-19(18)16-32/h1-10,13,22,25,27,29,31,33H,11-12,14-17H2/t22-,25-,27+,29+/m0/s1

inchikey

  • RHYJRBPAXZYDBS-RMBZFECLSA-N

mass

  • 552.616

monoisotopicmass

  • 552.17304

smiles

  • C1CN(CC2=CC=CC=C21)C(=O)C[C@@H]3C[C@@H]4[C@H]([C@H](O3)CO)OC5=C4C=C(C=C5)NS(=O)(=O)C6=CC=C(C=C6)F

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:101231

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