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

Systemtic Name: methyl 4-(4-hydroxyphenyl)sulfonyl-1-propylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate Openeye Name: methyl 4-(4-hydroxyphenyl)sulfonyl-1-propylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate CAS Name: 4-(4-hydroxyphenyl)sulfonyl-1-propylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid methyl ester IUPAC Name: methyl 4-(4-hydroxyphenyl)sulfonyl-1-propylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate Traditional Name: 4-(4-hydroxyphenyl)sulfonyl-1-propylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid methyl ester Formula: C20H24N2O7S2 MolecularWeight: 468.54376

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CC(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)O)C(=O)OC

Isomeric SMILES

CCCS(=O)(=O)N1CC(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)O)C(=O)OC

InChI

InChI=1S/C20H24N2O7S2/c1-3-12-30(25,26)21-14-19(20(24)29-2)22(13-15-6-4-5-7-18(15)21)31(27,28)17-10-8-16(23)9-11-17/h4-11,19,23H,3,12-14H2,1-2H3