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

Systemtic Name: [2-[(2-ethoxyphenyl)amino]-2-oxidanylidene-ethyl] 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-(2-ethoxyanilino)-2-oxo-ethyl] 1-(p-tolylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(4-methylphenyl)sulfonyl-4-piperidinecarboxylic acid [2-(2-ethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-ethoxyanilino)-2-oxoethyl] 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-tosylisonipecotic acid [2-keto-2-(o-phenetidino)ethyl] ester Formula: C23H28N2O6S MolecularWeight: 460.54322

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

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