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

Systemtic Name: [2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 1-(phenylsulfonyl)piperidine-4-carboxylate Openeye Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 1-(benzenesulfonyl)piperidine-4-carboxylate CAS Name: 1-(benzenesulfonyl)-4-piperidinecarboxylic acid [2-oxo-2-(3-phenylpropylamino)ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 1-(benzenesulfonyl)piperidine-4-carboxylate Traditional Name: 1-besylisonipecotic acid [2-keto-2-(3-phenylpropylamino)ethyl] ester Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)NCCCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)NCCCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H28N2O5S/c26-22(24-15-7-10-19-8-3-1-4-9-19)18-30-23(27)20-13-16-25(17-14-20)31(28,29)21-11-5-2-6-12-21/h1-6,8-9,11-12,20H,7,10,13-18H2,(H,24,26)