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

Systemtic Name: [2-(2,4-dichlorophenyl)-2-oxidanylidene-ethyl] 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-(2,4-dichlorophenyl)-2-oxo-ethyl] 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(3,4-dimethylphenyl)sulfonyl-4-piperidinecarboxylic acid [2-(2,4-dichlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dichlorophenyl)-2-oxoethyl] 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(3,4-dimethylphenyl)sulfonylisonipecotic acid [2-(2,4-dichlorophenyl)-2-keto-ethyl] ester Formula: C22H23Cl2NO5S MolecularWeight: 484.39272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC(=O)C3=C(C=C(C=C3)Cl)Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC(=O)C3=C(C=C(C=C3)Cl)Cl)C

InChI

InChI=1S/C22H23Cl2NO5S/c1-14-3-5-18(11-15(14)2)31(28,29)25-9-7-16(8-10-25)22(27)30-13-21(26)19-6-4-17(23)12-20(19)24/h3-6,11-12,16H,7-10,13H2,1-2H3