[2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-(3,4-dimethylanilino)-2-oxo-ethyl] 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-methoxyphenyl)sulfonyl-4-piperidinecarboxylic acid [2-(3,4-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylanilino)-2-oxoethyl] 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-methoxyphenyl)sulfonylisonipecotic acid [2-(3,4-dimethylanilino)-2-keto-ethyl] ester Formula: C23H28N2O6S MolecularWeight: 460.54322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC)C

InChI

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