2-[3,4-bis(fluoranyl)phenyl]-4-ethyl-4-methyl-3-(4-methylsulfonylphenyl)cyclopent-2-en-1-one

Systemtic Name: 2-[3,4-bis(fluoranyl)phenyl]-4-ethyl-4-methyl-3-(4-methylsulfonylphenyl)cyclopent-2-en-1-one Openeye Name: 2-(3,4-difluorophenyl)-4-ethyl-4-methyl-3-(4-methylsulfonylphenyl)cyclopent-2-en-1-one CAS Name: 2-(3,4-difluorophenyl)-4-ethyl-4-methyl-3-(4-methylsulfonylphenyl)-1-cyclopent-2-enone IUPAC Name: 2-(3,4-difluorophenyl)-4-ethyl-4-methyl-3-(4-methylsulfonylphenyl)cyclopent-2-en-1-one Traditional Name: 2-(3,4-difluorophenyl)-4-ethyl-3-(4-mesylphenyl)-4-methyl-cyclopent-2-en-1-one Formula: C21H20F2O3S MolecularWeight: 390.443506

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC(=O)C(=C1C2=CC=C(C=C2)S(=O)(=O)C)C3=CC(=C(C=C3)F)F)C

Isomeric SMILES

CCC1(CC(=O)C(=C1C2=CC=C(C=C2)S(=O)(=O)C)C3=CC(=C(C=C3)F)F)C

InChI

InChI=1S/C21H20F2O3S/c1-4-21(2)12-18(24)19(14-7-10-16(22)17(23)11-14)20(21)13-5-8-15(9-6-13)27(3,25)26/h5-11H,4,12H2,1-3H3