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

Systemtic Name: [2-(2,5-dimethoxyphenyl)-2-oxidanylidene-ethyl] 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-(2,5-dimethoxyphenyl)-2-oxo-ethyl] 1-(p-tolylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(4-methylphenyl)sulfonyl-4-piperidinecarboxylic acid [2-(2,5-dimethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-tosylisonipecotic acid [2-(2,5-dimethoxyphenyl)-2-keto-ethyl] ester Formula: C23H27NO7S MolecularWeight: 461.52798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27NO7S/c1-16-4-7-19(8-5-16)32(27,28)24-12-10-17(11-13-24)23(26)31-15-21(25)20-14-18(29-2)6-9-22(20)30-3/h4-9,14,17H,10-13,15H2,1-3H3