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

Systemtic Name: 8-(acetamidomethyl)-4-(4-but-2-ynoxyphenyl)sulfonyl-1-ethanoyl-N-oxidanyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxamide Openeye Name: N-[[1-acetyl-4-(4-but-2-ynoxyphenyl)sulfonyl-3-(hydroxycarbamoyl)-3,5-dihydro-2H-1,4-benzodiazepin-8-yl]methyl]acetamide CAS Name: 8-(acetamidomethyl)-1-acetyl-4-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxamide IUPAC Name: 8-(acetamidomethyl)-1-acetyl-4-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxamide Traditional Name: N-[[1-acetyl-4-(4-but-2-ynoxyphenyl)sulfonyl-3-(hydroxycarbamoyl)-3,5-dihydro-2H-1,4-benzodiazepin-8-yl]methyl]acetamide Formula: C25H28N4O7S MolecularWeight: 528.57742

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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)CNC(=O)C)N(CC2C(=O)NO)C(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C25H28N4O7S/c1-4-5-12-36-21-8-10-22(11-9-21)37(34,35)29-15-20-7-6-19(14-26-17(2)30)13-23(20)28(18(3)31)16-24(29)25(32)27-33/h6-11,13,24,33H,12,14-16H2,1-3H3,(H,26,30)(H,27,32)