[2-[(4-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [2-[(4-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-(4-methylsulfanylanilino)-2-oxo-ethyl] 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2,4,6-trimethylphenyl)sulfonyl-4-piperidinecarboxylic acid [2-[4-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfanylanilino)-2-oxoethyl] 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-mesitylsulfonylisonipecotic acid [2-keto-2-[4-(methylthio)anilino]ethyl] ester Formula: C24H30N2O5S2 MolecularWeight: 490.6354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)OCC(=O)NC3=CC=C(C=C3)SC)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)OCC(=O)NC3=CC=C(C=C3)SC)C

InChI

InChI=1S/C24H30N2O5S2/c1-16-13-17(2)23(18(3)14-16)33(29,30)26-11-9-19(10-12-26)24(28)31-15-22(27)25-20-5-7-21(32-4)8-6-20/h5-8,13-14,19H,9-12,15H2,1-4H3,(H,25,27)