4-(4-methoxyphenyl)sulfonyl-1-(2-pyrazol-1-ylphenyl)carbonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid

Systemtic Name: 4-(4-methoxyphenyl)sulfonyl-1-(2-pyrazol-1-ylphenyl)carbonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Openeye Name: 4-(4-methoxyphenyl)sulfonyl-1-(2-pyrazol-1-ylbenzoyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid CAS Name: 4-(4-methoxyphenyl)sulfonyl-1-[oxo-[2-(1-pyrazolyl)phenyl]methyl]-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid IUPAC Name: 4-(4-methoxyphenyl)sulfonyl-1-(2-pyrazol-1-ylbenzoyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Traditional Name: 4-(4-methoxyphenyl)sulfonyl-1-(2-pyrazol-1-ylbenzoyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Formula: C27H24N4O6S MolecularWeight: 532.56766

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3N(CC2C(=O)O)C(=O)C4=CC=CC=C4N5C=CC=N5

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3N(CC2C(=O)O)C(=O)C4=CC=CC=C4N5C=CC=N5

InChI

InChI=1S/C27H24N4O6S/c1-37-20-11-13-21(14-12-20)38(35,36)31-17-19-7-2-4-9-23(19)29(18-25(31)27(33)34)26(32)22-8-3-5-10-24(22)30-16-6-15-28-30/h2-16,25H,17-18H2,1H3,(H,33,34)