5-(dimethylaminomethyl)-2-(4-fluoranyl-3-methyl-phenyl)-3-(4-methylsulfonylphenyl)cyclopent-2-en-1-one

Systemtic Name: 5-(dimethylaminomethyl)-2-(4-fluoranyl-3-methyl-phenyl)-3-(4-methylsulfonylphenyl)cyclopent-2-en-1-one Openeye Name: 5-(dimethylaminomethyl)-2-(4-fluoro-3-methyl-phenyl)-3-(4-methylsulfonylphenyl)cyclopent-2-en-1-one CAS Name: 5-(dimethylaminomethyl)-2-(4-fluoro-3-methylphenyl)-3-(4-methylsulfonylphenyl)-1-cyclopent-2-enone IUPAC Name: 5-(dimethylaminomethyl)-2-(4-fluoro-3-methylphenyl)-3-(4-methylsulfonylphenyl)cyclopent-2-en-1-one Traditional Name: 5-(dimethylaminomethyl)-2-(4-fluoro-3-methyl-phenyl)-3-(4-mesylphenyl)cyclopent-2-en-1-one Formula: C22H24FNO3S MolecularWeight: 401.494263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24FNO3S/c1-14-11-16(7-10-20(14)23)21-19(12-17(22(21)25)13-24(2)3)15-5-8-18(9-6-15)28(4,26)27/h5-11,17H,12-13H2,1-4H3