4-(4-but-2-ynoxyphenyl)sulfonyl-1-ethanoyl-N-oxidanyl-7-phenethyloxy-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxamide

Systemtic Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-ethanoyl-N-oxidanyl-7-phenethyloxy-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxamide Openeye Name: 1-acetyl-4-(4-but-2-ynoxyphenyl)sulfonyl-7-phenethyloxy-3,5-dihydro-2H-1,4-benzodiazepine-3-carbohydroxamic acid CAS Name: 1-acetyl-4-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-7-phenethyloxy-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxamide IUPAC Name: 1-acetyl-4-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-7-phenethyloxy-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxamide Traditional Name: 1-acetyl-4-(4-but-2-ynoxyphenyl)sulfonyl-7-phenethyloxy-3,5-dihydro-2H-1,4-benzodiazepine-3-carbohydroxamic acid Formula: C30H31N3O7S MolecularWeight: 577.64804

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CC3=C(C=CC(=C3)OCCC4=CC=CC=C4)N(CC2C(=O)NO)C(=O)C

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CC3=C(C=CC(=C3)OCCC4=CC=CC=C4)N(CC2C(=O)NO)C(=O)C

InChI

InChI=1S/C30H31N3O7S/c1-3-4-17-39-25-10-13-27(14-11-25)41(37,38)33-20-24-19-26(40-18-16-23-8-6-5-7-9-23)12-15-28(24)32(22(2)34)21-29(33)30(35)31-36/h5-15,19,29,36H,16-18,20-21H2,1-2H3,(H,31,35)