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

Systemtic Name: 2-chloranyl-4-[2,5-dimethyl-4-[4-(trifluoromethyl)phenyl]sulfonyl-piperazin-1-yl]benzenecarbonitrile Openeye Name: 2-chloro-4-[2,5-dimethyl-4-[4-(trifluoromethyl)phenyl]sulfonyl-piperazin-1-yl]benzonitrile CAS Name: 2-chloro-4-[2,5-dimethyl-4-[4-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]benzonitrile IUPAC Name: 2-chloro-4-[2,5-dimethyl-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]benzonitrile Traditional Name: 2-chloro-4-[2,5-dimethyl-4-[4-(trifluoromethyl)phenyl]sulfonyl-piperazino]benzonitrile Formula: C20H19ClF3N3O2S MolecularWeight: 457.89697

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClF3N3O2S/c1-13-12-27(30(28,29)18-7-4-16(5-8-18)20(22,23)24)14(2)11-26(13)17-6-3-15(10-25)19(21)9-17/h3-9,13-14H,11-12H2,1-2H3