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

Systemtic Name: N-[3-(3H-benzimidazol-1-ium-1-yl)quinoxalin-2-yl]-4-methyl-benzenesulfonamide Openeye Name: N-[3-(3H-benzimidazol-1-ium-1-yl)quinoxalin-2-yl]-4-methyl-benzenesulfonamide CAS Name: N-[3-(3H-benzimidazol-1-ium-1-yl)-2-quinoxalinyl]-4-methylbenzenesulfonamide IUPAC Name: N-[3-(3H-benzimidazol-1-ium-1-yl)quinoxalin-2-yl]-4-methylbenzenesulfonamide Traditional Name: N-[3-(3H-benzimidazol-1-ium-1-yl)quinoxalin-2-yl]-4-methyl-benzenesulfonamide Formula: C22H18N5O2S+ MolecularWeight: 416.47562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2[N+]4=CNC5=CC=CC=C54

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2[N+]4=CNC5=CC=CC=C54

InChI

InChI=1S/C22H17N5O2S/c1-15-10-12-16(13-11-15)30(28,29)26-21-22(25-18-7-3-2-6-17(18)24-21)27-14-23-19-8-4-5-9-20(19)27/h2-14H,1H3,(H,24,26)/p+1