[2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 1-(4-ethoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 1-(4-ethoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 1-(4-ethoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-ethoxycarbonylphenyl)sulfonyl-4-piperidinecarboxylic acid [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 1-(4-ethoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-carbethoxyphenyl)sulfonylisonipecotic acid [2-keto-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C26H31NO7S MolecularWeight: 501.59184

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC(=O)C3=CC(=C(C=C3C)C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC(=O)C3=CC(=C(C=C3C)C)C

InChI

InChI=1S/C26H31NO7S/c1-5-33-25(29)20-6-8-22(9-7-20)35(31,32)27-12-10-21(11-13-27)26(30)34-16-24(28)23-15-18(3)17(2)14-19(23)4/h6-9,14-15,21H,5,10-13,16H2,1-4H3