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

Systemtic Name: 4-bromanyl-N-[3-(3-hexylbenzimidazol-3-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide Openeye Name: 4-bromo-N-[3-(3-hexylbenzimidazol-3-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide CAS Name: 4-bromo-N-[3-(3-hexyl-1-benzimidazol-3-iumyl)-2-quinoxalinyl]benzenesulfonamide IUPAC Name: 4-bromo-N-[3-(3-hexylbenzimidazol-3-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide Traditional Name: 4-bromo-N-[3-(3-hexylbenzimidazol-3-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide Formula: C27H27BrN5O2S+ MolecularWeight: 565.50458

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[N+]1=CN(C2=CC=CC=C21)C3=NC4=CC=CC=C4N=C3NS(=O)(=O)C5=CC=C(C=C5)Br

Isomeric SMILES

CCCCCC[N+]1=CN(C2=CC=CC=C21)C3=NC4=CC=CC=C4N=C3NS(=O)(=O)C5=CC=C(C=C5)Br

InChI

InChI=1S/C27H27BrN5O2S/c1-2-3-4-9-18-32-19-33(25-13-8-7-12-24(25)32)27-26(29-22-10-5-6-11-23(22)30-27)31-36(34,35)21-16-14-20(28)15-17-21/h5-8,10-17,19H,2-4,9,18H2,1H3,(H,29,31)/q+1