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

Systemtic Name: methyl 1-(2-fluorophenyl)carbonyl-4-(4-hydroxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate Openeye Name: methyl 1-(2-fluorobenzoyl)-4-(4-hydroxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate CAS Name: 1-[(2-fluorophenyl)-oxomethyl]-4-(4-hydroxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid methyl ester IUPAC Name: methyl 1-(2-fluorobenzoyl)-4-(4-hydroxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate Traditional Name: 1-(2-fluorobenzoyl)-4-(4-hydroxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid methyl ester Formula: C24H21FN2O6S MolecularWeight: 484.496743

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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=CC=CC=C4F

Isomeric SMILES

COC(=O)C1CN(C2=CC=CC=C2CN1S(=O)(=O)C3=CC=C(C=C3)O)C(=O)C4=CC=CC=C4F

InChI

InChI=1S/C24H21FN2O6S/c1-33-24(30)22-15-26(23(29)19-7-3-4-8-20(19)25)21-9-5-2-6-16(21)14-27(22)34(31,32)18-12-10-17(28)11-13-18/h2-13,22,28H,14-15H2,1H3