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

Systemtic Name: N-[3-(3-ethylimidazol-3-ium-1-yl)quinoxalin-2-yl]-4-methyl-benzenesulfonamide Openeye Name: N-[3-(3-ethylimidazol-3-ium-1-yl)quinoxalin-2-yl]-4-methyl-benzenesulfonamide CAS Name: N-[3-(3-ethyl-1-imidazol-3-iumyl)-2-quinoxalinyl]-4-methylbenzenesulfonamide IUPAC Name: N-[3-(3-ethylimidazol-3-ium-1-yl)quinoxalin-2-yl]-4-methylbenzenesulfonamide Traditional Name: N-[3-(3-ethylimidazol-3-ium-1-yl)quinoxalin-2-yl]-4-methyl-benzenesulfonamide Formula: C20H20N5O2S+ MolecularWeight: 394.4701

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N5O2S/c1-3-24-12-13-25(14-24)20-19(21-17-6-4-5-7-18(17)22-20)23-28(26,27)16-10-8-15(2)9-11-16/h4-14H,3H2,1-2H3,(H,21,23)/q+1