methyl 4-(4-hydroxyphenyl)sulfonyl-1-thiophen-3-ylcarbonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(C2=CC=CC=C2CN1S(=O)(=O)C3=CC=C(C=C3)O)C(=O)C4=CSC=C4

Isomeric SMILES

COC(=O)C1CN(C2=CC=CC=C2CN1S(=O)(=O)C3=CC=C(C=C3)O)C(=O)C4=CSC=C4

InChI

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