4-chloranyl-N-[3-(3-propylbenzimidazol-3-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[3-(3-propylbenzimidazol-3-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide Openeye Name: 4-chloro-N-[3-(3-propylbenzimidazol-3-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide CAS Name: 4-chloro-N-[3-(3-propyl-1-benzimidazol-3-iumyl)-2-quinoxalinyl]benzenesulfonamide IUPAC Name: 4-chloro-N-[3-(3-propylbenzimidazol-3-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide Traditional Name: 4-chloro-N-[3-(3-propylbenzimidazol-3-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide Formula: C24H21ClN5O2S+ MolecularWeight: 478.97384

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=CN(C2=CC=CC=C21)C3=NC4=CC=CC=C4N=C3NS(=O)(=O)C5=CC=C(C=C5)Cl

Isomeric SMILES

CCC[N+]1=CN(C2=CC=CC=C21)C3=NC4=CC=CC=C4N=C3NS(=O)(=O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C24H21ClN5O2S/c1-2-15-29-16-30(22-10-6-5-9-21(22)29)24-23(26-19-7-3-4-8-20(19)27-24)28-33(31,32)18-13-11-17(25)12-14-18/h3-14,16H,2,15H2,1H3,(H,26,28)/q+1