2-fluoranyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)phenyl]benzenesulfonamide

Systemtic Name: 2-fluoranyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)phenyl]benzenesulfonamide Openeye Name: 2-fluoro-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)phenyl]benzenesulfonamide CAS Name: 2-fluoro-N-[2-(4-methyl-1-piperazin-4-iumyl)-5-(trifluoromethyl)phenyl]benzenesulfonamide IUPAC Name: 2-fluoro-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)phenyl]benzenesulfonamide Traditional Name: 2-fluoro-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)phenyl]benzenesulfonamide Formula: C18H20F4N3O2S+ MolecularWeight: 418.428913

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)NS(=O)(=O)C3=CC=CC=C3F

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)NS(=O)(=O)C3=CC=CC=C3F

InChI

InChI=1S/C18H19F4N3O2S/c1-24-8-10-25(11-9-24)16-7-6-13(18(20,21)22)12-15(16)23-28(26,27)17-5-3-2-4-14(17)19/h2-7,12,23H,8-11H2,1H3/p+1