4-(4-but-2-ynoxyphenyl)sulfonyl-1-ethanoyl-N8-methyl-N3-oxidanyl-3,5-dihydro-2H-1,4-benzodiazepine-3,8-dicarboxamide

Systemtic Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-ethanoyl-N8-methyl-N3-oxidanyl-3,5-dihydro-2H-1,4-benzodiazepine-3,8-dicarboxamide Openeye Name: 1-acetyl-4-(4-but-2-ynoxyphenyl)sulfonyl-3-(hydroxycarbamoyl)-N-methyl-3,5-dihydro-2H-1,4-benzodiazepine-8-carboxamide CAS Name: 1-acetyl-4-(4-but-2-ynoxyphenyl)sulfonyl-N3-hydroxy-N8-methyl-3,5-dihydro-2H-1,4-benzodiazepine-3,8-dicarboxamide IUPAC Name: 1-acetyl-4-(4-but-2-ynoxyphenyl)sulfonyl-3-N-hydroxy-8-N-methyl-3,5-dihydro-2H-1,4-benzodiazepine-3,8-dicarboxamide Traditional Name: 1-acetyl-4-(4-but-2-ynoxyphenyl)sulfonyl-3-(hydroxycarbamoyl)-N-methyl-3,5-dihydro-2H-1,4-benzodiazepine-8-carboxamide Formula: C24H26N4O7S MolecularWeight: 514.55084

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CC3=C(C=C(C=C3)C(=O)NC)N(CC2C(=O)NO)C(=O)C

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CC3=C(C=C(C=C3)C(=O)NC)N(CC2C(=O)NO)C(=O)C

InChI

InChI=1S/C24H26N4O7S/c1-4-5-12-35-19-8-10-20(11-9-19)36(33,34)28-14-18-7-6-17(23(30)25-3)13-21(18)27(16(2)29)15-22(28)24(31)26-32/h6-11,13,22,32H,12,14-15H2,1-3H3,(H,25,30)(H,26,31)