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

Systemtic Name: 4-(4-methoxyphenyl)sulfonyl-1-thiophen-2-ylcarbonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Openeye Name: 4-(4-methoxyphenyl)sulfonyl-1-(thiophene-2-carbonyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid CAS Name: 4-(4-methoxyphenyl)sulfonyl-1-[oxo(thiophen-2-yl)methyl]-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid IUPAC Name: 4-(4-methoxyphenyl)sulfonyl-1-(thiophene-2-carbonyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Traditional Name: 4-(4-methoxyphenyl)sulfonyl-1-(2-thenoyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Formula: C22H20N2O6S2 MolecularWeight: 472.534

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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=CS4

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3N(CC2C(=O)O)C(=O)C4=CC=CS4

InChI

InChI=1S/C22H20N2O6S2/c1-30-16-8-10-17(11-9-16)32(28,29)24-13-15-5-2-3-6-18(15)23(14-19(24)22(26)27)21(25)20-7-4-12-31-20/h2-12,19H,13-14H2,1H3,(H,26,27)