[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-(3,4-dimethylphenyl)sulfonylcyclopentane-1-carboxylate

Systemtic Name: [2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-(3,4-dimethylphenyl)sulfonylcyclopentane-1-carboxylate Openeye Name: [2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl] 1-(3,4-dimethylphenyl)sulfonylcyclopentanecarboxylate CAS Name: 1-(3,4-dimethylphenyl)sulfonyl-1-cyclopentanecarboxylic acid [2-(2-ethyl-6-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 1-(3,4-dimethylphenyl)sulfonylcyclopentane-1-carboxylate Traditional Name: 1-(3,4-dimethylphenyl)sulfonylcyclopentanecarboxylic acid [2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl] ester Formula: C25H31NO5S MolecularWeight: 457.58234

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)COC(=O)C2(CCCC2)S(=O)(=O)C3=CC(=C(C=C3)C)C)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)COC(=O)C2(CCCC2)S(=O)(=O)C3=CC(=C(C=C3)C)C)C

InChI

InChI=1S/C25H31NO5S/c1-5-20-10-8-9-18(3)23(20)26-22(27)16-31-24(28)25(13-6-7-14-25)32(29,30)21-12-11-17(2)19(4)15-21/h8-12,15H,5-7,13-14,16H2,1-4H3,(H,26,27)