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

Systemtic Name: 4-bromanyl-N-[3-(3-heptylbenzimidazol-3-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide Openeye Name: 4-bromo-N-[3-(3-heptylbenzimidazol-3-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide CAS Name: 4-bromo-N-[3-(3-heptyl-1-benzimidazol-3-iumyl)-2-quinoxalinyl]benzenesulfonamide IUPAC Name: 4-bromo-N-[3-(3-heptylbenzimidazol-3-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide Traditional Name: 4-bromo-N-[3-(3-heptylbenzimidazol-3-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide Formula: C28H29BrN5O2S+ MolecularWeight: 579.53116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H29BrN5O2S/c1-2-3-4-5-10-19-33-20-34(26-14-9-8-13-25(26)33)28-27(30-23-11-6-7-12-24(23)31-28)32-37(35,36)22-17-15-21(29)16-18-22/h6-9,11-18,20H,2-5,10,19H2,1H3,(H,30,32)/q+1