4-(4-methoxyphenyl)sulfonyl-7-methyl-1-(2-pyrazol-1-ylphenyl)carbonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid

Systemtic Name: 4-(4-methoxyphenyl)sulfonyl-7-methyl-1-(2-pyrazol-1-ylphenyl)carbonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Openeye Name: 4-(4-methoxyphenyl)sulfonyl-7-methyl-1-(2-pyrazol-1-ylbenzoyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid CAS Name: 4-(4-methoxyphenyl)sulfonyl-7-methyl-1-[oxo-[2-(1-pyrazolyl)phenyl]methyl]-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid IUPAC Name: 4-(4-methoxyphenyl)sulfonyl-7-methyl-1-(2-pyrazol-1-ylbenzoyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Traditional Name: 4-(4-methoxyphenyl)sulfonyl-7-methyl-1-(2-pyrazol-1-ylbenzoyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Formula: C28H26N4O6S MolecularWeight: 546.59424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(CC(N(C2)S(=O)(=O)C3=CC=C(C=C3)OC)C(=O)O)C(=O)C4=CC=CC=C4N5C=CC=N5

Isomeric SMILES

CC1=CC2=C(C=C1)N(CC(N(C2)S(=O)(=O)C3=CC=C(C=C3)OC)C(=O)O)C(=O)C4=CC=CC=C4N5C=CC=N5

InChI

InChI=1S/C28H26N4O6S/c1-19-8-13-24-20(16-19)17-32(39(36,37)22-11-9-21(38-2)10-12-22)26(28(34)35)18-30(24)27(33)23-6-3-4-7-25(23)31-15-5-14-29-31/h3-16,26H,17-18H2,1-2H3,(H,34,35)