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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-[(2s,3r)-2-[[benzenesulfonyl(methyl)amino]methyl]-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclopropanecarboxamide
... > 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-[(2s,3r)-2-[[benzenesulfonyl(methyl)amino]methyl]-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclopropanecarboxamide
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxoacid derivative > sulfur oxoacid derivative > sulfonic acid derivative > sulfonamide > n-[(2s,3r)-2-[[benzenesulfonyl(methyl)amino]methyl]-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclopropanecarboxamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > sulfonamide > n-[(2s,3r)-2-[[benzenesulfonyl(methyl)amino]methyl]-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclopropanecarboxamide

Preferred term

n-[(2s,3r)-2-[[benzenesulfonyl(methyl)amino]methyl]-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclopropanecarboxamide  

Type

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

Broader concept

charge

  • 0

formula

  • C27H35N3O6S

inchi

  • InChI=1S/C27H35N3O6S/c1-18-15-30(19(2)17-31)26(32)14-21-13-22(28-27(33)20-9-10-20)11-12-24(21)36-25(18)16-29(3)37(34,35)23-7-5-4-6-8-23/h4-8,11-13,18-20,25,31H,9-10,14-17H2,1-3H3,(H,28,33)/t18-,19+,25-/m1/s1

inchikey

  • MWSPHKIBVREWDU-HHJKRLRDSA-N

mass

  • 529.650

monoisotopicmass

  • 529.22466

smiles

  • C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)C3CC3)O[C@@H]1CN(C)S(=O)(=O)C4=CC=CC=C4)[C@@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:108850

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