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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 > 2-[(1s,3r,4ar,9as)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1h-pyrano[3,4-b]benzofuran-3-yl]-n-(cyclopropylmethyl)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,3r,4ar,9as)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1h-pyrano[3,4-b]benzofuran-3-yl]-n-(cyclopropylmethyl)acetamide
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxoacid derivative > sulfur oxoacid derivative > sulfonic acid derivative > sulfonamide > 2-[(1s,3r,4ar,9as)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1h-pyrano[3,4-b]benzofuran-3-yl]-n-(cyclopropylmethyl)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,3r,4ar,9as)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1h-pyrano[3,4-b]benzofuran-3-yl]-n-(cyclopropylmethyl)acetamide

Preferred term

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

Type

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

Broader concept

charge

  • 0

formula

  • C24H28N2O6S

inchi

  • InChI=1S/C24H28N2O6S/c27-14-22-24-20(11-17(31-22)12-23(28)25-13-15-6-7-15)19-10-16(8-9-21(19)32-24)26-33(29,30)18-4-2-1-3-5-18/h1-5,8-10,15,17,20,22,24,26-27H,6-7,11-14H2,(H,25,28)/t17-,20-,22+,24+/m1/s1

inchikey

  • UITZQDWRSZBATF-OITMPTDNSA-N

mass

  • 472.556

monoisotopicmass

  • 472.16681

smiles

  • C1CC1CNC(=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:117373

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