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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23BrN5O2S/c1-16(2)11-12-27-13-14-28(15-27)22-21(24-19-5-3-4-6-20(19)25-22)26-31(29,30)18-9-7-17(23)8-10-18/h3-10,13-16H,11-12H2,1-2H3,(H,24,26)/q+1