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

Systemtic Name: N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-(trifluoromethyloxy)benzenesulfonamide Openeye Name: N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide CAS Name: N-[2-methyl-4-(4-methyl-1-piperazin-4-iumyl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide IUPAC Name: N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide Traditional Name: N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide Formula: C19H23F3N3O3S+ MolecularWeight: 430.46443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CC[NH+](CC2)C)NS(=O)(=O)C3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

CC1=C(C=CC(=C1)N2CC[NH+](CC2)C)NS(=O)(=O)C3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C19H22F3N3O3S/c1-14-13-15(25-11-9-24(2)10-12-25)3-8-18(14)23-29(26,27)17-6-4-16(5-7-17)28-19(20,21)22/h3-8,13,23H,9-12H2,1-2H3/p+1