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

Systemtic Name: (4-methylphenyl)sulfonyl-[3-(3-pentylimidazol-3-ium-1-yl)quinoxalin-2-yl]azanide Openeye Name: [3-(3-pentylimidazol-3-ium-1-yl)quinoxalin-2-yl]-(p-tolylsulfonyl)azanide CAS Name: (4-methylphenyl)sulfonyl-[3-(3-pentyl-1-imidazol-3-iumyl)-2-quinoxalinyl]azanide IUPAC Name: (4-methylphenyl)sulfonyl-[3-(3-pentylimidazol-3-ium-1-yl)quinoxalin-2-yl]azanide Traditional Name: [3-(3-amylimidazol-3-ium-1-yl)quinoxalin-2-yl]-tosyl-azanide Formula: C23H25N5O2S MolecularWeight: 435.5419

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C23H25N5O2S/c1-3-4-7-14-27-15-16-28(17-27)23-22(24-20-8-5-6-9-21(20)25-23)26-31(29,30)19-12-10-18(2)11-13-19/h5-6,8-13,15-17H,3-4,7,14H2,1-2H3