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

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

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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=CN=CC=C4

Isomeric SMILES

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

InChI

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