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2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]benzenecarbonitrile
2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]benzenecarbonitrile
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Descriptors Computed from Structure
Canonical SMILES:
C1CN(CCN1C2=CC=CC=C2C#N)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F
Isomeric SMILES
C1CN(CCN1C2=CC=CC=C2C#N)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F
InChI
InChI=1S/C18H16F3N3O2S/c19-18(20,21)15-5-3-6-16(12-15)27(25,26)24-10-8-23(9-11-24)17-7-2-1-4-14(17)13-22/h1-7,12H,8-11H2
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