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

Systemtic Name: [2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-(3,4-dimethylphenyl)-2-oxo-ethyl] 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(3,4-dimethylphenyl)sulfonyl-4-piperidinecarboxylic acid [2-(3,4-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylphenyl)-2-oxoethyl] 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(3,4-dimethylphenyl)sulfonylisonipecotic acid [2-(3,4-dimethylphenyl)-2-keto-ethyl] ester Formula: C24H29NO5S MolecularWeight: 443.55576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29NO5S/c1-16-5-7-21(13-18(16)3)23(26)15-30-24(27)20-9-11-25(12-10-20)31(28,29)22-8-6-17(2)19(4)14-22/h5-8,13-14,20H,9-12,15H2,1-4H3