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

Systemtic Name: N-[[2-[(4-methylpiperazin-4-ium-1-yl)methyl]phenyl]methyl]-4-(trifluoromethyl)benzenesulfonamide Openeye Name: N-[[2-[(4-methylpiperazin-4-ium-1-yl)methyl]phenyl]methyl]-4-(trifluoromethyl)benzenesulfonamide CAS Name: N-[[2-[(4-methyl-1-piperazin-4-iumyl)methyl]phenyl]methyl]-4-(trifluoromethyl)benzenesulfonamide IUPAC Name: N-[[2-[(4-methylpiperazin-4-ium-1-yl)methyl]phenyl]methyl]-4-(trifluoromethyl)benzenesulfonamide Traditional Name: N-[2-[(4-methylpiperazin-4-ium-1-yl)methyl]benzyl]-4-(trifluoromethyl)benzenesulfonamide Formula: C20H25F3N3O2S+ MolecularWeight: 428.49161

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC2=CC=CC=C2CNS(=O)(=O)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

C[NH+]1CCN(CC1)CC2=CC=CC=C2CNS(=O)(=O)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C20H24F3N3O2S/c1-25-10-12-26(13-11-25)15-17-5-3-2-4-16(17)14-24-29(27,28)19-8-6-18(7-9-19)20(21,22)23/h2-9,24H,10-15H2,1H3/p+1