2-[[4-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 2-[[4-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]benzonitrile CAS Name: 2-[[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]methyl]benzonitrile IUPAC Name: 2-[[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]benzonitrile Traditional Name: 2-[[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazino]methyl]benzonitrile Formula: C19H17ClF3N3O2S MolecularWeight: 443.87039

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2C#N)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2C#N)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(F)(F)F

InChI

InChI=1S/C19H17ClF3N3O2S/c20-18-6-5-16(11-17(18)19(21,22)23)29(27,28)26-9-7-25(8-10-26)13-15-4-2-1-3-14(15)12-24/h1-6,11H,7-10,13H2