3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-[2-(trifluoromethyloxy)phenyl]benzamide

Systemtic Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-[2-(trifluoromethyloxy)phenyl]benzamide Openeye Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-[2-(trifluoromethoxy)phenyl]benzamide CAS Name: 3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-N-[2-(trifluoromethoxy)phenyl]benzamide IUPAC Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-[2-(trifluoromethoxy)phenyl]benzamide Traditional Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-[2-(trifluoromethoxy)phenyl]benzamide Formula: C19H21F3N3O4S+ MolecularWeight: 444.44795

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=CC=C3OC(F)(F)F

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=CC=C3OC(F)(F)F

InChI

InChI=1S/C19H20F3N3O4S/c1-24-9-11-25(12-10-24)30(27,28)15-6-4-5-14(13-15)18(26)23-16-7-2-3-8-17(16)29-19(20,21)22/h2-8,13H,9-12H2,1H3,(H,23,26)/p+1