5-(dimethylaminomethyl)-2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)cyclopent-2-en-1-one

Systemtic Name: 5-(dimethylaminomethyl)-2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)cyclopent-2-en-1-one Openeye Name: 5-(dimethylaminomethyl)-2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)cyclopent-2-en-1-one CAS Name: 5-(dimethylaminomethyl)-2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-1-cyclopent-2-enone IUPAC Name: 5-(dimethylaminomethyl)-2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)cyclopent-2-en-1-one Traditional Name: 5-(dimethylaminomethyl)-2-(4-fluorophenyl)-3-(4-mesylphenyl)cyclopent-2-en-1-one Formula: C21H22FNO3S MolecularWeight: 387.467683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22FNO3S/c1-23(2)13-16-12-19(14-6-10-18(11-7-14)27(3,25)26)20(21(16)24)15-4-8-17(22)9-5-15/h4-11,16H,12-13H2,1-3H3