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

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 1-(phenylsulfonyl)piperidine-4-carboxylate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 1-(benzenesulfonyl)piperidine-4-carboxylate CAS Name: 1-(benzenesulfonyl)-4-piperidinecarboxylic acid [2-oxo-2-[3-(phenylthio)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 1-(benzenesulfonyl)piperidine-4-carboxylate Traditional Name: 1-besylisonipecotic acid [2-keto-2-[3-(phenylthio)propylamino]ethyl] ester Formula: C23H28N2O5S2 MolecularWeight: 476.60882

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)NCCCSC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)NCCCSC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H28N2O5S2/c26-22(24-14-7-17-31-20-8-3-1-4-9-20)18-30-23(27)19-12-15-25(16-13-19)32(28,29)21-10-5-2-6-11-21/h1-6,8-11,19H,7,12-18H2,(H,24,26)