4-(4-methoxyphenyl)sulfonyl-1-pyridin-4-ylcarbonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid

Systemtic Name: 4-(4-methoxyphenyl)sulfonyl-1-pyridin-4-ylcarbonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Openeye Name: 4-(4-methoxyphenyl)sulfonyl-1-(pyridine-4-carbonyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid CAS Name: 4-(4-methoxyphenyl)sulfonyl-1-[oxo(pyridin-4-yl)methyl]-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid IUPAC Name: 4-(4-methoxyphenyl)sulfonyl-1-(pyridine-4-carbonyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Traditional Name: 1-isonicotinoyl-4-(4-methoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Formula: C23H21N3O6S MolecularWeight: 467.49434

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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=NC=C4

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O6S/c1-32-18-6-8-19(9-7-18)33(30,31)26-14-17-4-2-3-5-20(17)25(15-21(26)23(28)29)22(27)16-10-12-24-13-11-16/h2-13,21H,14-15H2,1H3,(H,28,29)