5-(dimethylaminomethyl)-3-(4-methylsulfonylphenyl)-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one

Systemtic Name: 5-(dimethylaminomethyl)-3-(4-methylsulfonylphenyl)-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one Openeye Name: 5-(dimethylaminomethyl)-3-(4-methylsulfonylphenyl)-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one CAS Name: 5-(dimethylaminomethyl)-3-(4-methylsulfonylphenyl)-2-[3-(trifluoromethyl)phenyl]-1-cyclopent-2-enone IUPAC Name: 5-(dimethylaminomethyl)-3-(4-methylsulfonylphenyl)-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one Traditional Name: 5-(dimethylaminomethyl)-3-(4-mesylphenyl)-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one Formula: C22H22F3NO3S MolecularWeight: 437.47519

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1CC(=C(C1=O)C2=CC(=CC=C2)C(F)(F)F)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CN(C)CC1CC(=C(C1=O)C2=CC(=CC=C2)C(F)(F)F)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C22H22F3NO3S/c1-26(2)13-16-12-19(14-7-9-18(10-8-14)30(3,28)29)20(21(16)27)15-5-4-6-17(11-15)22(23,24)25/h4-11,16H,12-13H2,1-3H3