[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-(2,6-dimethylanilino)-2-oxo-ethyl] 1-(p-tolylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(4-methylphenyl)sulfonyl-4-piperidinecarboxylic acid [2-(2,6-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethylanilino)-2-oxoethyl] 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-tosylisonipecotic acid [2-(2,6-dimethylanilino)-2-keto-ethyl] ester Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC(=O)NC3=C(C=CC=C3C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC(=O)NC3=C(C=CC=C3C)C

InChI

InChI=1S/C23H28N2O5S/c1-16-7-9-20(10-8-16)31(28,29)25-13-11-19(12-14-25)23(27)30-15-21(26)24-22-17(2)5-4-6-18(22)3/h4-10,19H,11-15H2,1-3H3,(H,24,26)