4-(2,5-dimethyl-4-methylsulfonyl-piperazin-1-yl)-2-(trifluoromethyl)benzenecarbonitrile

Systemtic Name: 4-(2,5-dimethyl-4-methylsulfonyl-piperazin-1-yl)-2-(trifluoromethyl)benzenecarbonitrile Openeye Name: 4-(2,5-dimethyl-4-methylsulfonyl-piperazin-1-yl)-2-(trifluoromethyl)benzonitrile CAS Name: 4-(2,5-dimethyl-4-methylsulfonyl-1-piperazinyl)-2-(trifluoromethyl)benzonitrile IUPAC Name: 4-(2,5-dimethyl-4-methylsulfonylpiperazin-1-yl)-2-(trifluoromethyl)benzonitrile Traditional Name: 4-(4-mesyl-2,5-dimethyl-piperazino)-2-(trifluoromethyl)benzonitrile Formula: C15H18F3N3O2S MolecularWeight: 361.38253

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(CN1S(=O)(=O)C)C)C2=CC(=C(C=C2)C#N)C(F)(F)F

Isomeric SMILES

CC1CN(C(CN1S(=O)(=O)C)C)C2=CC(=C(C=C2)C#N)C(F)(F)F

InChI

InChI=1S/C15H18F3N3O2S/c1-10-9-21(24(3,22)23)11(2)8-20(10)13-5-4-12(7-19)14(6-13)15(16,17)18/h4-6,10-11H,8-9H2,1-3H3