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

Systemtic Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)phenyl]benzenesulfonamide Openeye Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)phenyl]benzenesulfonamide CAS Name: N-[2-(4-methyl-1-piperazin-4-iumyl)-5-(trifluoromethyl)phenyl]benzenesulfonamide IUPAC Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)phenyl]benzenesulfonamide Traditional Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)phenyl]benzenesulfonamide Formula: C18H21F3N3O2S+ MolecularWeight: 400.43845

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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=C3

Isomeric SMILES

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

InChI

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