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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)CC[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/c1-16(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