[(2S)-1-oxidanylidene-1-[(2-phenylphenyl)amino]propan-2-yl] 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-[(2-phenylphenyl)amino]propan-2-yl] 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-(2-phenylanilino)ethyl] 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid [(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl] 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid [(1S)-2-keto-1-methyl-2-(2-phenylanilino)ethyl] ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C2=CC=CC=C2)OC(=O)C3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1C2=CC=CC=C2)OC(=O)C3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C22H26N2O5S/c1-16(29-22(26)18-12-14-24(15-13-18)30(2,27)28)21(25)23-20-11-7-6-10-19(20)17-8-4-3-5-9-17/h3-11,16,18H,12-15H2,1-2H3,(H,23,25)/t16-/m0/s1