4-[4-(chloromethylsulfonyl)-2,5-dimethyl-piperazin-1-yl]-2-(trifluoromethyl)benzenecarbonitrile

Systemtic Name: 4-[4-(chloromethylsulfonyl)-2,5-dimethyl-piperazin-1-yl]-2-(trifluoromethyl)benzenecarbonitrile Openeye Name: 4-[4-(chloromethylsulfonyl)-2,5-dimethyl-piperazin-1-yl]-2-(trifluoromethyl)benzonitrile CAS Name: 4-[4-(chloromethylsulfonyl)-2,5-dimethyl-1-piperazinyl]-2-(trifluoromethyl)benzonitrile IUPAC Name: 4-[4-(chloromethylsulfonyl)-2,5-dimethylpiperazin-1-yl]-2-(trifluoromethyl)benzonitrile Traditional Name: 4-[4-(chloromethylsulfonyl)-2,5-dimethyl-piperazino]-2-(trifluoromethyl)benzonitrile Formula: C15H17ClF3N3O2S MolecularWeight: 395.82759

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17ClF3N3O2S/c1-10-8-22(25(23,24)9-16)11(2)7-21(10)13-4-3-12(6-20)14(5-13)15(17,18)19/h3-5,10-11H,7-9H2,1-2H3