[2-(4-chlorophenyl)-2-oxidanylidene-ethyl] 1-(phenylsulfonyl)piperidine-4-carboxylate

Systemtic Name: [2-(4-chlorophenyl)-2-oxidanylidene-ethyl] 1-(phenylsulfonyl)piperidine-4-carboxylate Openeye Name: [2-(4-chlorophenyl)-2-oxo-ethyl] 1-(benzenesulfonyl)piperidine-4-carboxylate CAS Name: 1-(benzenesulfonyl)-4-piperidinecarboxylic acid [2-(4-chlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-chlorophenyl)-2-oxoethyl] 1-(benzenesulfonyl)piperidine-4-carboxylate Traditional Name: 1-besylisonipecotic acid [2-(4-chlorophenyl)-2-keto-ethyl] ester Formula: C20H20ClNO5S MolecularWeight: 421.8945

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)C2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)C2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H20ClNO5S/c21-17-8-6-15(7-9-17)19(23)14-27-20(24)16-10-12-22(13-11-16)28(25,26)18-4-2-1-3-5-18/h1-9,16H,10-14H2