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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > sulfur molecular entity > organosulfur compound > sulfonamide > 2-[(1s,3s,4as,9ar)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1h-pyrano[3,4-b]benzofuran-3-yl]-n-[2-(1-piperidinyl)ethyl]acetamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > sulfur molecular entity > sulfur oxoacid derivative > sulfonic acid derivative > sulfonamide > 2-[(1s,3s,4as,9ar)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1h-pyrano[3,4-b]benzofuran-3-yl]-n-[2-(1-piperidinyl)ethyl]acetamide
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxoacid derivative > sulfur oxoacid derivative > sulfonic acid derivative > sulfonamide > 2-[(1s,3s,4as,9ar)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1h-pyrano[3,4-b]benzofuran-3-yl]-n-[2-(1-piperidinyl)ethyl]acetamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > sulfonamide > 2-[(1s,3s,4as,9ar)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1h-pyrano[3,4-b]benzofuran-3-yl]-n-[2-(1-piperidinyl)ethyl]acetamide

Preferred term

2-[(1s,3s,4as,9ar)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1h-pyrano[3,4-b]benzofuran-3-yl]-n-[2-(1-piperidinyl)ethyl]acetamide  

Type

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

Broader concept

charge

  • 0

formula

  • C27H34FN3O6S

inchi

  • InChI=1S/C27H34FN3O6S/c28-18-4-7-21(8-5-18)38(34,35)30-19-6-9-24-22(14-19)23-15-20(36-25(17-32)27(23)37-24)16-26(33)29-10-13-31-11-2-1-3-12-31/h4-9,14,20,23,25,27,30,32H,1-3,10-13,15-17H2,(H,29,33)/t20-,23-,25-,27+/m0/s1

inchikey

  • PHBUKTREHITDBU-WHTZKJIOSA-N

mass

  • 547.641

monoisotopicmass

  • 547.21524

smiles

  • C1CCN(CC1)CCNC(=O)C[C@@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)F

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:101191

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