4-bromanyl-N-[3-(3-pentylimidazol-3-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide

Systemtic Name: 4-bromanyl-N-[3-(3-pentylimidazol-3-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide Openeye Name: 4-bromo-N-[3-(3-pentylimidazol-3-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide CAS Name: 4-bromo-N-[3-(3-pentyl-1-imidazol-3-iumyl)-2-quinoxalinyl]benzenesulfonamide IUPAC Name: 4-bromo-N-[3-(3-pentylimidazol-3-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide Traditional Name: N-[3-(3-amylimidazol-3-ium-1-yl)quinoxalin-2-yl]-4-bromo-benzenesulfonamide Formula: C22H23BrN5O2S+ MolecularWeight: 501.41932

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC[N+]1=CN(C=C1)C2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CCCCC[N+]1=CN(C=C1)C2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H23BrN5O2S/c1-2-3-6-13-27-14-15-28(16-27)22-21(24-19-7-4-5-8-20(19)25-22)26-31(29,30)18-11-9-17(23)10-12-18/h4-5,7-12,14-16H,2-3,6,13H2,1H3,(H,24,26)/q+1