[(1S)-2-oxidanylidene-1-phenyl-2-phenylazanyl-ethyl] 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name: [(1S)-2-oxidanylidene-1-phenyl-2-phenylazanyl-ethyl] 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: [(1S)-2-anilino-2-oxo-1-phenyl-ethyl] 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid [(1S)-2-anilino-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-anilino-2-oxo-1-phenylethyl] 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid [(1S)-2-anilino-2-keto-1-phenyl-ethyl] ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C(=O)OC(C2=CC=CC=C2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)O[C@@H](C2=CC=CC=C2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H24N2O5S/c1-29(26,27)23-14-12-17(13-15-23)21(25)28-19(16-8-4-2-5-9-16)20(24)22-18-10-6-3-7-11-18/h2-11,17,19H,12-15H2,1H3,(H,22,24)/t19-/m0/s1