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

Systemtic Name: 2-chloranyl-4-fluoranyl-N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]methyl]benzenesulfonamide Openeye Name: 2-chloro-4-fluoro-N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]methyl]benzenesulfonamide CAS Name: 2-chloro-4-fluoro-N-[[4-(4-methyl-1-piperazin-4-iumyl)phenyl]methyl]benzenesulfonamide IUPAC Name: 2-chloro-4-fluoro-N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]methyl]benzenesulfonamide Traditional Name: 2-chloro-4-fluoro-N-[4-(4-methylpiperazin-4-ium-1-yl)benzyl]benzenesulfonamide Formula: C18H22ClFN3O2S+ MolecularWeight: 398.902583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClFN3O2S/c1-22-8-10-23(11-9-22)16-5-2-14(3-6-16)13-21-26(24,25)18-7-4-15(20)12-17(18)19/h2-7,12,21H,8-11,13H2,1H3/p+1