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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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