[1-[(2,5-dimethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 1-(phenylsulfonyl)piperidine-4-carboxylate

Systemtic Name: [1-[(2,5-dimethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 1-(phenylsulfonyl)piperidine-4-carboxylate Openeye Name: [2-(2,5-dimethoxyanilino)-1-methyl-2-oxo-ethyl] 1-(benzenesulfonyl)piperidine-4-carboxylate CAS Name: 1-(benzenesulfonyl)-4-piperidinecarboxylic acid [1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] 1-(benzenesulfonyl)piperidine-4-carboxylate Traditional Name: 1-besylisonipecotic acid [2-(2,5-dimethoxyanilino)-2-keto-1-methyl-ethyl] ester Formula: C23H28N2O7S MolecularWeight: 476.54262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)OC)OC)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)OC)OC)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H28N2O7S/c1-16(22(26)24-20-15-18(30-2)9-10-21(20)31-3)32-23(27)17-11-13-25(14-12-17)33(28,29)19-7-5-4-6-8-19/h4-10,15-17H,11-14H2,1-3H3,(H,24,26)