8-[[4-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]quinoline

Systemtic Name: 8-[[4-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]quinoline Openeye Name: 8-[[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]quinoline CAS Name: 8-[[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]methyl]quinoline IUPAC Name: 8-[[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]quinoline Traditional Name: 8-[[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazino]methyl]quinoline Formula: C21H19ClF3N3O2S MolecularWeight: 469.90767

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC3=C2N=CC=C3)S(=O)(=O)C4=CC(=C(C=C4)Cl)C(F)(F)F

Isomeric SMILES

C1CN(CCN1CC2=CC=CC3=C2N=CC=C3)S(=O)(=O)C4=CC(=C(C=C4)Cl)C(F)(F)F

InChI

InChI=1S/C21H19ClF3N3O2S/c22-19-7-6-17(13-18(19)21(23,24)25)31(29,30)28-11-9-27(10-12-28)14-16-4-1-3-15-5-2-8-26-20(15)16/h1-8,13H,9-12,14H2