(4-bromophenyl)sulfonyl-[3-(3-pentylimidazol-3-ium-1-yl)quinoxalin-2-yl]azanide

Systemtic Name: (4-bromophenyl)sulfonyl-[3-(3-pentylimidazol-3-ium-1-yl)quinoxalin-2-yl]azanide Openeye Name: (4-bromophenyl)sulfonyl-[3-(3-pentylimidazol-3-ium-1-yl)quinoxalin-2-yl]azanide CAS Name: (4-bromophenyl)sulfonyl-[3-(3-pentyl-1-imidazol-3-iumyl)-2-quinoxalinyl]azanide IUPAC Name: (4-bromophenyl)sulfonyl-[3-(3-pentylimidazol-3-ium-1-yl)quinoxalin-2-yl]azanide Traditional Name: [3-(3-amylimidazol-3-ium-1-yl)quinoxalin-2-yl]-brosyl-azanide Formula: C22H22BrN5O2S MolecularWeight: 500.41138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22BrN5O2S/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