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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)OCC(=O)NCCCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCN(C(C1)C(=O)OCC(=O)NCCCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

InChI

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