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

Systemtic Name: 4-chloranyl-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-(trifluoromethyl)benzenesulfonamide Openeye Name: 4-chloro-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-(trifluoromethyl)benzenesulfonamide CAS Name: 4-chloro-N-[2-(4-methyl-1-piperazin-4-iumyl)phenyl]-2-(trifluoromethyl)benzenesulfonamide IUPAC Name: 4-chloro-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-(trifluoromethyl)benzenesulfonamide Traditional Name: 4-chloro-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-(trifluoromethyl)benzenesulfonamide Formula: C18H20ClF3N3O2S+ MolecularWeight: 434.88351

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=CC=C2NS(=O)(=O)C3=C(C=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=CC=C2NS(=O)(=O)C3=C(C=C(C=C3)Cl)C(F)(F)F

InChI

InChI=1S/C18H19ClF3N3O2S/c1-24-8-10-25(11-9-24)16-5-3-2-4-15(16)23-28(26,27)17-7-6-13(19)12-14(17)18(20,21)22/h2-7,12,23H,8-11H2,1H3/p+1