[2-oxidanylidene-2-[[2-(phenylmethyl)phenyl]amino]ethyl] 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[2-(phenylmethyl)phenyl]amino]ethyl] 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(2-benzylanilino)-2-oxo-ethyl] 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid [2-oxo-2-[2-(phenylmethyl)anilino]ethyl] ester IUPAC Name: [2-(2-benzylanilino)-2-oxoethyl] 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid [2-(2-benzylanilino)-2-keto-ethyl] ester Formula: C22H26N2O5S MolecularWeight: 430.51724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C(=O)OCC(=O)NC2=CC=CC=C2CC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)OCC(=O)NC2=CC=CC=C2CC3=CC=CC=C3

InChI

InChI=1S/C22H26N2O5S/c1-30(27,28)24-13-11-18(12-14-24)22(26)29-16-21(25)23-20-10-6-5-9-19(20)15-17-7-3-2-4-8-17/h2-10,18H,11-16H2,1H3,(H,23,25)