[2-oxidanylidene-2-[[2-(phenylmethyl)phenyl]amino]ethyl] 1-(phenylsulfonyl)piperidine-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[2-(phenylmethyl)phenyl]amino]ethyl] 1-(phenylsulfonyl)piperidine-2-carboxylate Openeye Name: [2-(2-benzylanilino)-2-oxo-ethyl] 1-(benzenesulfonyl)piperidine-2-carboxylate CAS Name: 1-(benzenesulfonyl)-2-piperidinecarboxylic acid [2-oxo-2-[2-(phenylmethyl)anilino]ethyl] ester IUPAC Name: [2-(2-benzylanilino)-2-oxoethyl] 1-(benzenesulfonyl)piperidine-2-carboxylate Traditional Name: 1-besylpipecolinic acid [2-(2-benzylanilino)-2-keto-ethyl] ester Formula: C27H28N2O5S MolecularWeight: 492.58662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)OCC(=O)NC2=CC=CC=C2CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C(C1)C(=O)OCC(=O)NC2=CC=CC=C2CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H28N2O5S/c30-26(28-24-16-8-7-13-22(24)19-21-11-3-1-4-12-21)20-34-27(31)25-17-9-10-18-29(25)35(32,33)23-14-5-2-6-15-23/h1-8,11-16,25H,9-10,17-20H2,(H,28,30)