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

Systemtic Name: [2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl] 1-(3,4-dimethylphenyl)sulfonylcyclopentane-1-carboxylate Openeye Name: [2-(3-methylanilino)-2-oxo-ethyl] 1-(3,4-dimethylphenyl)sulfonylcyclopentanecarboxylate CAS Name: 1-(3,4-dimethylphenyl)sulfonyl-1-cyclopentanecarboxylic acid [2-(3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylanilino)-2-oxoethyl] 1-(3,4-dimethylphenyl)sulfonylcyclopentane-1-carboxylate Traditional Name: 1-(3,4-dimethylphenyl)sulfonylcyclopentanecarboxylic acid [2-keto-2-(m-toluidino)ethyl] ester Formula: C23H27NO5S MolecularWeight: 429.52918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)COC(=O)C2(CCCC2)S(=O)(=O)C3=CC(=C(C=C3)C)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)COC(=O)C2(CCCC2)S(=O)(=O)C3=CC(=C(C=C3)C)C

InChI

InChI=1S/C23H27NO5S/c1-16-7-6-8-19(13-16)24-21(25)15-29-22(26)23(11-4-5-12-23)30(27,28)20-10-9-17(2)18(3)14-20/h6-10,13-14H,4-5,11-12,15H2,1-3H3,(H,24,25)