[2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 1-ethylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 1-ethylsulfonylpiperidine-4-carboxylate Openeye Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 1-ethylsulfonylpiperidine-4-carboxylate CAS Name: 1-ethylsulfonyl-4-piperidinecarboxylic acid [2-oxo-2-(3-phenylpropylamino)ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 1-ethylsulfonylpiperidine-4-carboxylate Traditional Name: 1-esylisonipecotic acid [2-keto-2-(3-phenylpropylamino)ethyl] ester Formula: C19H28N2O5S MolecularWeight: 396.50102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC(CC1)C(=O)OCC(=O)NCCCC2=CC=CC=C2

Isomeric SMILES

CCS(=O)(=O)N1CCC(CC1)C(=O)OCC(=O)NCCCC2=CC=CC=C2

InChI

InChI=1S/C19H28N2O5S/c1-2-27(24,25)21-13-10-17(11-14-21)19(23)26-15-18(22)20-12-6-9-16-7-4-3-5-8-16/h3-5,7-8,17H,2,6,9-15H2,1H3,(H,20,22)