4-[2-oxidanyl-3-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propoxy]benzenecarbonitrile

Systemtic Name: 4-[2-oxidanyl-3-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propoxy]benzenecarbonitrile Openeye Name: 4-[2-hydroxy-3-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propoxy]benzonitrile CAS Name: 4-[2-hydroxy-3-[4-[2-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]propoxy]benzonitrile IUPAC Name: 4-[2-hydroxy-3-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propoxy]benzonitrile Traditional Name: 4-[2-hydroxy-3-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazino]propoxy]benzonitrile Formula: C21H22F3N3O4S MolecularWeight: 469.47729

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(COC2=CC=C(C=C2)C#N)O)S(=O)(=O)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

C1CN(CCN1CC(COC2=CC=C(C=C2)C#N)O)S(=O)(=O)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C21H22F3N3O4S/c22-21(23,24)19-3-1-2-4-20(19)32(29,30)27-11-9-26(10-12-27)14-17(28)15-31-18-7-5-16(13-25)6-8-18/h1-8,17,28H,9-12,14-15H2