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

Systemtic Name: 4-[4-[4-bromanyl-2-(trifluoromethyloxy)phenyl]sulfonylpiperazin-1-yl]benzenecarbonitrile Openeye Name: 4-[4-[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]benzonitrile CAS Name: 4-[4-[4-bromo-2-(trifluoromethoxy)phenyl]sulfonyl-1-piperazinyl]benzonitrile IUPAC Name: 4-[4-[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]benzonitrile Traditional Name: 4-[4-[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylpiperazino]benzonitrile Formula: C18H15BrF3N3O3S MolecularWeight: 490.29421

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)C#N)S(=O)(=O)C3=C(C=C(C=C3)Br)OC(F)(F)F

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)C#N)S(=O)(=O)C3=C(C=C(C=C3)Br)OC(F)(F)F

InChI

InChI=1S/C18H15BrF3N3O3S/c19-14-3-6-17(16(11-14)28-18(20,21)22)29(26,27)25-9-7-24(8-10-25)15-4-1-13(12-23)2-5-15/h1-6,11H,7-10H2