methyl 4-(4-hydroxyphenyl)sulfonyl-1-(4-methylthiophen-2-yl)carbonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate

Systemtic Name: methyl 4-(4-hydroxyphenyl)sulfonyl-1-(4-methylthiophen-2-yl)carbonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate Openeye Name: methyl 4-(4-hydroxyphenyl)sulfonyl-1-(4-methylthiophene-2-carbonyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate CAS Name: 4-(4-hydroxyphenyl)sulfonyl-1-[(4-methyl-2-thiophenyl)-oxomethyl]-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid methyl ester IUPAC Name: methyl 4-(4-hydroxyphenyl)sulfonyl-1-(4-methylthiophene-2-carbonyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate Traditional Name: 4-(4-hydroxyphenyl)sulfonyl-1-(4-methylthiophene-2-carbonyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid methyl ester Formula: C23H22N2O6S2 MolecularWeight: 486.56058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1)C(=O)N2CC(N(CC3=CC=CC=C32)S(=O)(=O)C4=CC=C(C=C4)O)C(=O)OC

Isomeric SMILES

CC1=CSC(=C1)C(=O)N2CC(N(CC3=CC=CC=C32)S(=O)(=O)C4=CC=C(C=C4)O)C(=O)OC

InChI

InChI=1S/C23H22N2O6S2/c1-15-11-21(32-14-15)22(27)24-13-20(23(28)31-2)25(12-16-5-3-4-6-19(16)24)33(29,30)18-9-7-17(26)8-10-18/h3-11,14,20,26H,12-13H2,1-2H3