4-(4-methoxyphenyl)sulfonyl-1-[2-(1H-pyrazol-5-yl)phenyl]carbonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid

Systemtic Name: 4-(4-methoxyphenyl)sulfonyl-1-[2-(1H-pyrazol-5-yl)phenyl]carbonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Openeye Name: 4-(4-methoxyphenyl)sulfonyl-1-[2-(1H-pyrazol-5-yl)benzoyl]-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid CAS Name: 4-(4-methoxyphenyl)sulfonyl-1-[oxo-[2-(1H-pyrazol-5-yl)phenyl]methyl]-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid IUPAC Name: 4-(4-methoxyphenyl)sulfonyl-1-[2-(1H-pyrazol-5-yl)benzoyl]-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Traditional Name: 4-(4-methoxyphenyl)sulfonyl-1-[2-(1H-pyrazol-5-yl)benzoyl]-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=C4C5=CC=NN5

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3N(CC2C(=O)O)C(=O)C4=CC=CC=C4C5=CC=NN5

InChI

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