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

Systemtic Name: 4-bromanyl-N-[3-[3-(3-methylbutyl)benzimidazol-3-ium-1-yl]quinoxalin-2-yl]benzenesulfonamide Openeye Name: 4-bromo-N-[3-(3-isopentylbenzimidazol-3-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide CAS Name: 4-bromo-N-[3-[3-(3-methylbutyl)-1-benzimidazol-3-iumyl]-2-quinoxalinyl]benzenesulfonamide IUPAC Name: 4-bromo-N-[3-[3-(3-methylbutyl)benzimidazol-3-ium-1-yl]quinoxalin-2-yl]benzenesulfonamide Traditional Name: 4-bromo-N-[3-(3-isoamylbenzimidazol-3-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide Formula: C26H25BrN5O2S+ MolecularWeight: 551.478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25BrN5O2S/c1-18(2)15-16-31-17-32(24-10-6-5-9-23(24)31)26-25(28-21-7-3-4-8-22(21)29-26)30-35(33,34)20-13-11-19(27)12-14-20/h3-14,17-18H,15-16H2,1-2H3,(H,28,30)/q+1