N-[3-(3-butylimidazol-3-ium-1-yl)quinoxalin-2-yl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[3-(3-butylimidazol-3-ium-1-yl)quinoxalin-2-yl]-4-methyl-benzenesulfonamide Openeye Name: N-[3-(3-butylimidazol-3-ium-1-yl)quinoxalin-2-yl]-4-methyl-benzenesulfonamide CAS Name: N-[3-(3-butyl-1-imidazol-3-iumyl)-2-quinoxalinyl]-4-methylbenzenesulfonamide IUPAC Name: N-[3-(3-butylimidazol-3-ium-1-yl)quinoxalin-2-yl]-4-methylbenzenesulfonamide Traditional Name: N-[3-(3-butylimidazol-3-ium-1-yl)quinoxalin-2-yl]-4-methyl-benzenesulfonamide Formula: C22H24N5O2S+ MolecularWeight: 422.52326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N5O2S/c1-3-4-13-26-14-15-27(16-26)22-21(23-19-7-5-6-8-20(19)24-22)25-30(28,29)18-11-9-17(2)10-12-18/h5-12,14-16H,3-4,13H2,1-2H3,(H,23,25)/q+1