[2-(3-fluoranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxylate

Systemtic Name: [2-(3-fluoranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxylate Openeye Name: [2-(3-fluoro-4-methoxy-phenyl)-2-oxo-ethyl] 1-(2,5-dimethylphenyl)sulfonylcyclopentanecarboxylate CAS Name: 1-(2,5-dimethylphenyl)sulfonyl-1-cyclopentanecarboxylic acid [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxylate Traditional Name: 1-(2,5-dimethylphenyl)sulfonylcyclopentanecarboxylic acid [2-(3-fluoro-4-methoxy-phenyl)-2-keto-ethyl] ester Formula: C23H25FO6S MolecularWeight: 448.504403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25FO6S/c1-15-6-7-16(2)21(12-15)31(27,28)23(10-4-5-11-23)22(26)30-14-19(25)17-8-9-20(29-3)18(24)13-17/h6-9,12-13H,4-5,10-11,14H2,1-3H3