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

Systemtic Name: (4-bromophenyl)sulfonyl-[3-(3-butylimidazol-3-ium-1-yl)quinoxalin-2-yl]azanide Openeye Name: (4-bromophenyl)sulfonyl-[3-(3-butylimidazol-3-ium-1-yl)quinoxalin-2-yl]azanide CAS Name: (4-bromophenyl)sulfonyl-[3-(3-butyl-1-imidazol-3-iumyl)-2-quinoxalinyl]azanide IUPAC Name: (4-bromophenyl)sulfonyl-[3-(3-butylimidazol-3-ium-1-yl)quinoxalin-2-yl]azanide Traditional Name: brosyl-[3-(3-butylimidazol-3-ium-1-yl)quinoxalin-2-yl]azanide Formula: C21H20BrN5O2S MolecularWeight: 486.3848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20BrN5O2S/c1-2-3-12-26-13-14-27(15-26)21-20(23-18-6-4-5-7-19(18)24-21)25-30(28,29)17-10-8-16(22)9-11-17/h4-11,13-15H,2-3,12H2,1H3