[2-(2,5-dimethoxyphenyl)-2-oxidanylidene-ethyl] 1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [2-(2,5-dimethoxyphenyl)-2-oxidanylidene-ethyl] 1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-(2,5-dimethoxyphenyl)-2-oxo-ethyl] 1-(4-isopropylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-propan-2-ylphenyl)sulfonyl-4-piperidinecarboxylic acid [2-(2,5-dimethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-p-cumenylsulfonylisonipecotic acid [2-(2,5-dimethoxyphenyl)-2-keto-ethyl] ester Formula: C25H31NO7S MolecularWeight: 489.58114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31NO7S/c1-17(2)18-5-8-21(9-6-18)34(29,30)26-13-11-19(12-14-26)25(28)33-16-23(27)22-15-20(31-3)7-10-24(22)32-4/h5-10,15,17,19H,11-14,16H2,1-4H3