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

Systemtic Name: [(2S)-1-[(4-ethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: [(1S)-2-(4-ethoxyanilino)-1-methyl-2-oxo-ethyl] 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid [(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid [(1S)-2-keto-1-methyl-2-(p-phenetidino)ethyl] ester Formula: C18H26N2O6S MolecularWeight: 398.47384

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C(C)OC(=O)C2CCN(CC2)S(=O)(=O)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)[C@H](C)OC(=O)C2CCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C18H26N2O6S/c1-4-25-16-7-5-15(6-8-16)19-17(21)13(2)26-18(22)14-9-11-20(12-10-14)27(3,23)24/h5-8,13-14H,4,9-12H2,1-3H3,(H,19,21)/t13-/m0/s1