methyl 4-(4-methoxyphenyl)sulfonyl-1-(3-methoxypropanoyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate

Systemtic Name: methyl 4-(4-methoxyphenyl)sulfonyl-1-(3-methoxypropanoyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate Openeye Name: methyl 4-(4-methoxyphenyl)sulfonyl-1-(3-methoxypropanoyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate CAS Name: 1-(3-methoxy-1-oxopropyl)-4-(4-methoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid methyl ester IUPAC Name: methyl 4-(4-methoxyphenyl)sulfonyl-1-(3-methoxypropanoyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate Traditional Name: 4-(4-methoxyphenyl)sulfonyl-1-(3-methoxypropanoyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid methyl ester Formula: C22H26N2O7S MolecularWeight: 462.51604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O7S/c1-29-13-12-21(25)23-15-20(22(26)31-3)24(14-16-6-4-5-7-19(16)23)32(27,28)18-10-8-17(30-2)9-11-18/h4-11,20H,12-15H2,1-3H3