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

Systemtic Name: 4-(4-ethylsulfonyl-2,5-dimethyl-piperazin-1-yl)-2-(trifluoromethyl)benzenecarbonitrile Openeye Name: 4-(4-ethylsulfonyl-2,5-dimethyl-piperazin-1-yl)-2-(trifluoromethyl)benzonitrile CAS Name: 4-(4-ethylsulfonyl-2,5-dimethyl-1-piperazinyl)-2-(trifluoromethyl)benzonitrile IUPAC Name: 4-(4-ethylsulfonyl-2,5-dimethylpiperazin-1-yl)-2-(trifluoromethyl)benzonitrile Traditional Name: 4-(4-esyl-2,5-dimethyl-piperazino)-2-(trifluoromethyl)benzonitrile Formula: C16H20F3N3O2S MolecularWeight: 375.40911

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC(N(CC1C)C2=CC(=C(C=C2)C#N)C(F)(F)F)C

Isomeric SMILES

CCS(=O)(=O)N1CC(N(CC1C)C2=CC(=C(C=C2)C#N)C(F)(F)F)C

InChI

InChI=1S/C16H20F3N3O2S/c1-4-25(23,24)22-10-11(2)21(9-12(22)3)14-6-5-13(8-20)15(7-14)16(17,18)19/h5-7,11-12H,4,9-10H2,1-3H3