4-(4-but-2-ynoxyphenyl)sulfonyl-N-oxidanyl-1-(phenylcarbonyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxamide

Systemtic Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-N-oxidanyl-1-(phenylcarbonyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxamide Openeye Name: 1-benzoyl-4-(4-but-2-ynoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carbohydroxamic acid CAS Name: 1-benzoyl-4-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxamide IUPAC Name: 1-benzoyl-4-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxamide Traditional Name: 1-benzoyl-4-(4-but-2-ynoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carbohydroxamic acid Formula: C27H25N3O6S MolecularWeight: 519.5689

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3N(CC2C(=O)NO)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3N(CC2C(=O)NO)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H25N3O6S/c1-2-3-17-36-22-13-15-23(16-14-22)37(34,35)30-18-21-11-7-8-12-24(21)29(19-25(30)26(31)28-33)27(32)20-9-5-4-6-10-20/h4-16,25,33H,17-19H2,1H3,(H,28,31)