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Chemistry, part 1

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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 > n-[(1r,3s,4ar,9as)-1-(hydroxymethyl)-3-[2-(4-morpholinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1h-pyrano[3,4-b]benzofuran-6-yl]benzenesulfonamide
... > 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 > n-[(1r,3s,4ar,9as)-1-(hydroxymethyl)-3-[2-(4-morpholinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1h-pyrano[3,4-b]benzofuran-6-yl]benzenesulfonamide
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxoacid derivative > sulfur oxoacid derivative > sulfonic acid derivative > sulfonamide > n-[(1r,3s,4ar,9as)-1-(hydroxymethyl)-3-[2-(4-morpholinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1h-pyrano[3,4-b]benzofuran-6-yl]benzenesulfonamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > sulfonamide > n-[(1r,3s,4ar,9as)-1-(hydroxymethyl)-3-[2-(4-morpholinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1h-pyrano[3,4-b]benzofuran-6-yl]benzenesulfonamide

Preferred term

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

Type

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

Broader concept

charge

  • 0

formula

  • C24H28N2O7S

inchi

  • InChI=1S/C24H28N2O7S/c27-15-22-24-20(13-17(32-22)14-23(28)26-8-10-31-11-9-26)19-12-16(6-7-21(19)33-24)25-34(29,30)18-4-2-1-3-5-18/h1-7,12,17,20,22,24-25,27H,8-11,13-15H2/t17-,20+,22+,24-/m0/s1

inchikey

  • CJNJMLGGDUQPOS-ZUAOHOGDSA-N

mass

  • 488.555

monoisotopicmass

  • 488.16172

smiles

  • C1COCCN1C(=O)C[C@@H]2C[C@H]3[C@@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NS(=O)(=O)C5=CC=CC=C5

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:100449

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