[(1R)-2-[(2-ethoxyphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name: [(1R)-2-[(2-ethoxyphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: [(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenyl-ethyl] 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid [(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid [(1R)-2-keto-2-(o-phenetidino)-1-phenyl-ethyl] ester Formula: C23H28N2O6S MolecularWeight: 460.54322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C(C2=CC=CC=C2)OC(=O)C3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)[C@@H](C2=CC=CC=C2)OC(=O)C3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C23H28N2O6S/c1-3-30-20-12-8-7-11-19(20)24-22(26)21(17-9-5-4-6-10-17)31-23(27)18-13-15-25(16-14-18)32(2,28)29/h4-12,18,21H,3,13-16H2,1-2H3,(H,24,26)/t21-/m1/s1