[1-[(4-ethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [1-[(4-ethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-(4-ethoxyanilino)-1-methyl-2-oxo-ethyl] 1-(p-tolylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(4-methylphenyl)sulfonyl-4-piperidinecarboxylic acid [1-(4-ethoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-ethoxyanilino)-1-oxopropan-2-yl] 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-tosylisonipecotic acid [2-keto-1-methyl-2-(p-phenetidino)ethyl] ester Formula: C24H30N2O6S MolecularWeight: 474.5698

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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)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C(C)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C24H30N2O6S/c1-4-31-21-9-7-20(8-10-21)25-23(27)18(3)32-24(28)19-13-15-26(16-14-19)33(29,30)22-11-5-17(2)6-12-22/h5-12,18-19H,4,13-16H2,1-3H3,(H,25,27)