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

Systemtic Name: [2-(4-fluorophenyl)-2-oxidanylidene-ethyl] 1-(3,4-dimethylphenyl)sulfonylcyclopentane-1-carboxylate Openeye Name: [2-(4-fluorophenyl)-2-oxo-ethyl] 1-(3,4-dimethylphenyl)sulfonylcyclopentanecarboxylate CAS Name: 1-(3,4-dimethylphenyl)sulfonyl-1-cyclopentanecarboxylic acid [2-(4-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-fluorophenyl)-2-oxoethyl] 1-(3,4-dimethylphenyl)sulfonylcyclopentane-1-carboxylate Traditional Name: 1-(3,4-dimethylphenyl)sulfonylcyclopentanecarboxylic acid [2-(4-fluorophenyl)-2-keto-ethyl] ester Formula: C22H23FO5S MolecularWeight: 418.478423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C2(CCCC2)C(=O)OCC(=O)C3=CC=C(C=C3)F)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C2(CCCC2)C(=O)OCC(=O)C3=CC=C(C=C3)F)C

InChI

InChI=1S/C22H23FO5S/c1-15-5-10-19(13-16(15)2)29(26,27)22(11-3-4-12-22)21(25)28-14-20(24)17-6-8-18(23)9-7-17/h5-10,13H,3-4,11-12,14H2,1-2H3