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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)OCC(=O)NCCCSC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCN([C@H](C1)C(=O)OCC(=O)NCCCSC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H28N2O5S2/c26-22(24-15-9-17-31-19-10-3-1-4-11-19)18-30-23(27)21-14-7-8-16-25(21)32(28,29)20-12-5-2-6-13-20/h1-6,10-13,21H,7-9,14-18H2,(H,24,26)/t21-/m1/s1