N-[3-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]quinoxalin-2-yl]benzenesulfonamide

Systemtic Name: N-[3-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]quinoxalin-2-yl]benzenesulfonamide Openeye Name: N-[3-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]quinoxalin-2-yl]benzenesulfonamide CAS Name: N-[3-[4-[(2-fluorophenyl)methyl]-1-piperazin-4-iumyl]-2-quinoxalinyl]benzenesulfonamide IUPAC Name: N-[3-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]quinoxalin-2-yl]benzenesulfonamide Traditional Name: N-[3-[4-(2-fluorobenzyl)piperazin-4-ium-1-yl]quinoxalin-2-yl]benzenesulfonamide Formula: C25H25FN5O2S+ MolecularWeight: 478.561703

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2F)C3=NC4=CC=CC=C4N=C3NS(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2F)C3=NC4=CC=CC=C4N=C3NS(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C25H24FN5O2S/c26-21-11-5-4-8-19(21)18-30-14-16-31(17-15-30)25-24(27-22-12-6-7-13-23(22)28-25)29-34(32,33)20-9-2-1-3-10-20/h1-13H,14-18H2,(H,27,29)/p+1