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

Systemtic Name: 4-[2,5-dimethyl-4-(phenylmethyl)sulfonyl-piperazin-1-yl]-2-(trifluoromethyl)benzenecarbonitrile Openeye Name: 4-(4-benzylsulfonyl-2,5-dimethyl-piperazin-1-yl)-2-(trifluoromethyl)benzonitrile CAS Name: 4-[2,5-dimethyl-4-(phenylmethyl)sulfonyl-1-piperazinyl]-2-(trifluoromethyl)benzonitrile IUPAC Name: 4-(4-benzylsulfonyl-2,5-dimethylpiperazin-1-yl)-2-(trifluoromethyl)benzonitrile Traditional Name: 4-(4-benzylsulfonyl-2,5-dimethyl-piperazino)-2-(trifluoromethyl)benzonitrile Formula: C21H22F3N3O2S MolecularWeight: 437.47849

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(CN1S(=O)(=O)CC2=CC=CC=C2)C)C3=CC(=C(C=C3)C#N)C(F)(F)F

Isomeric SMILES

CC1CN(C(CN1S(=O)(=O)CC2=CC=CC=C2)C)C3=CC(=C(C=C3)C#N)C(F)(F)F

InChI

InChI=1S/C21H22F3N3O2S/c1-15-13-27(30(28,29)14-17-6-4-3-5-7-17)16(2)12-26(15)19-9-8-18(11-25)20(10-19)21(22,23)24/h3-10,15-16H,12-14H2,1-2H3