2-[4-[4-(trifluoromethyloxy)phenyl]sulfonylpiperazin-1-yl]benzenecarbonitrile

Systemtic Name: 2-[4-[4-(trifluoromethyloxy)phenyl]sulfonylpiperazin-1-yl]benzenecarbonitrile Openeye Name: 2-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]benzonitrile CAS Name: 2-[4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-piperazinyl]benzonitrile IUPAC Name: 2-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]benzonitrile Traditional Name: 2-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazino]benzonitrile Formula: C18H16F3N3O3S MolecularWeight: 411.39815

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2C#N)S(=O)(=O)C3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2C#N)S(=O)(=O)C3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C18H16F3N3O3S/c19-18(20,21)27-15-5-7-16(8-6-15)28(25,26)24-11-9-23(10-12-24)17-4-2-1-3-14(17)13-22/h1-8H,9-12H2