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

Systemtic Name: 3-fluoranyl-N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]methyl]benzenesulfonamide Openeye Name: 3-fluoro-N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]methyl]benzenesulfonamide CAS Name: 3-fluoro-N-[[4-(4-methyl-1-piperazin-4-iumyl)phenyl]methyl]benzenesulfonamide IUPAC Name: 3-fluoro-N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]methyl]benzenesulfonamide Traditional Name: 3-fluoro-N-[4-(4-methylpiperazin-4-ium-1-yl)benzyl]benzenesulfonamide Formula: C18H23FN3O2S+ MolecularWeight: 364.457523

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22FN3O2S/c1-21-9-11-22(12-10-21)17-7-5-15(6-8-17)14-20-25(23,24)18-4-2-3-16(19)13-18/h2-8,13,20H,9-12,14H2,1H3/p+1