N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-(trifluoromethyl)benzenesulfonamide

Systemtic Name: N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-(trifluoromethyl)benzenesulfonamide Openeye Name: N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-(trifluoromethyl)benzenesulfonamide CAS Name: N-[4-(4-methyl-1-piperazin-4-iumyl)phenyl]-2-(trifluoromethyl)benzenesulfonamide IUPAC Name: N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-(trifluoromethyl)benzenesulfonamide Traditional Name: N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-(trifluoromethyl)benzenesulfonamide Formula: C18H21F3N3O2S+ MolecularWeight: 400.43845

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C18H20F3N3O2S/c1-23-10-12-24(13-11-23)15-8-6-14(7-9-15)22-27(25,26)17-5-3-2-4-16(17)18(19,20)21/h2-9,22H,10-13H2,1H3/p+1