methyl 1-[2-(dimethylamino)ethanoyl]-4-(4-hydroxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate

Systemtic Name: methyl 1-[2-(dimethylamino)ethanoyl]-4-(4-hydroxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate Openeye Name: methyl 1-[2-(dimethylamino)acetyl]-4-(4-hydroxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate CAS Name: 1-[2-(dimethylamino)-1-oxoethyl]-4-(4-hydroxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid methyl ester IUPAC Name: methyl 1-[2-(dimethylamino)acetyl]-4-(4-hydroxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate Traditional Name: 1-[2-(dimethylamino)acetyl]-4-(4-hydroxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid methyl ester Formula: C21H25N3O6S MolecularWeight: 447.5047

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O6S/c1-22(2)14-20(26)23-13-19(21(27)30-3)24(12-15-6-4-5-7-18(15)23)31(28,29)17-10-8-16(25)9-11-17/h4-11,19,25H,12-14H2,1-3H3