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

Systemtic Name: [2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl] 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2,4,6-trimethylphenyl)sulfonyl-4-piperidinecarboxylic acid [2-(2-ethyl-6-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-mesitylsulfonylisonipecotic acid [2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl] ester Formula: C26H34N2O5S MolecularWeight: 486.62356

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3C)C)C)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3C)C)C)C

InChI

InChI=1S/C26H34N2O5S/c1-6-21-9-7-8-18(3)24(21)27-23(29)16-33-26(30)22-10-12-28(13-11-22)34(31,32)25-19(4)14-17(2)15-20(25)5/h7-9,14-15,22H,6,10-13,16H2,1-5H3,(H,27,29)