(4-chlorophenyl)sulfonyl-[3-(3-propylbenzimidazol-3-ium-1-yl)quinoxalin-2-yl]azanide

Systemtic Name: (4-chlorophenyl)sulfonyl-[3-(3-propylbenzimidazol-3-ium-1-yl)quinoxalin-2-yl]azanide Openeye Name: (4-chlorophenyl)sulfonyl-[3-(3-propylbenzimidazol-3-ium-1-yl)quinoxalin-2-yl]azanide CAS Name: (4-chlorophenyl)sulfonyl-[3-(3-propyl-1-benzimidazol-3-iumyl)-2-quinoxalinyl]azanide IUPAC Name: (4-chlorophenyl)sulfonyl-[3-(3-propylbenzimidazol-3-ium-1-yl)quinoxalin-2-yl]azanide Traditional Name: (4-chlorophenyl)sulfonyl-[3-(3-propylbenzimidazol-3-ium-1-yl)quinoxalin-2-yl]azanide Formula: C24H20ClN5O2S MolecularWeight: 477.9659

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H20ClN5O2S/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