4-[4-[[4-(trifluoromethyloxy)phenyl]methyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-[[4-(trifluoromethyloxy)phenyl]methyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[[4-(trifluoromethoxy)phenyl]methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-[4-(trifluoromethoxy)benzyl]piperazino]sulfonylbenzonitrile Formula: C19H18F3N3O3S MolecularWeight: 425.42473

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)OC(F)(F)F)S(=O)(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)OC(F)(F)F)S(=O)(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C19H18F3N3O3S/c20-19(21,22)28-17-5-1-16(2-6-17)14-24-9-11-25(12-10-24)29(26,27)18-7-3-15(13-23)4-8-18/h1-8H,9-12,14H2