4-[4-[2-chloranyl-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]butanenitrile

Systemtic Name: 4-[4-[2-chloranyl-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]butanenitrile Openeye Name: 4-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]butanenitrile CAS Name: 4-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]butanenitrile IUPAC Name: 4-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]butanenitrile Traditional Name: 4-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazino]butyronitrile Formula: C15H17ClF3N3O2S MolecularWeight: 395.82759

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCC#N)S(=O)(=O)C2=C(C=CC(=C2)C(F)(F)F)Cl

Isomeric SMILES

C1CN(CCN1CCCC#N)S(=O)(=O)C2=C(C=CC(=C2)C(F)(F)F)Cl

InChI

InChI=1S/C15H17ClF3N3O2S/c16-13-4-3-12(15(17,18)19)11-14(13)25(23,24)22-9-7-21(8-10-22)6-2-1-5-20/h3-4,11H,1-2,6-10H2