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

Systemtic Name: 4-(4-methoxyphenyl)sulfonyl-1-thiophen-3-ylcarbonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Openeye Name: 4-(4-methoxyphenyl)sulfonyl-1-(thiophene-3-carbonyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid CAS Name: 4-(4-methoxyphenyl)sulfonyl-1-[oxo(3-thiophenyl)methyl]-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid IUPAC Name: 4-(4-methoxyphenyl)sulfonyl-1-(thiophene-3-carbonyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Traditional Name: 4-(4-methoxyphenyl)sulfonyl-1-(3-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=CSC=C4

Isomeric SMILES

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

InChI

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