3-chloranyl-4-fluoranyl-N-[[4-(4-methylpiperazin-4-ium-1-yl)carbonylphenyl]methyl]benzenesulfonamide

Systemtic Name: 3-chloranyl-4-fluoranyl-N-[[4-(4-methylpiperazin-4-ium-1-yl)carbonylphenyl]methyl]benzenesulfonamide Openeye Name: 3-chloro-4-fluoro-N-[[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]methyl]benzenesulfonamide CAS Name: 3-chloro-4-fluoro-N-[[4-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]phenyl]methyl]benzenesulfonamide IUPAC Name: 3-chloro-4-fluoro-N-[[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]methyl]benzenesulfonamide Traditional Name: 3-chloro-4-fluoro-N-[4-(4-methylpiperazin-4-ium-1-carbonyl)benzyl]benzenesulfonamide Formula: C19H22ClFN3O3S+ MolecularWeight: 426.912683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClFN3O3S/c1-23-8-10-24(11-9-23)19(25)15-4-2-14(3-5-15)13-22-28(26,27)16-6-7-18(21)17(20)12-16/h2-7,12,22H,8-11,13H2,1H3/p+1