6-(1H-imidazol-5-yl)-3-methyl-3-(3-methylphenyl)-5-(4-methylphenyl)sulfonyl-1H-benzimidazol-3-ium-2-one

Systemtic Name: 6-(1H-imidazol-5-yl)-3-methyl-3-(3-methylphenyl)-5-(4-methylphenyl)sulfonyl-1H-benzimidazol-3-ium-2-one Openeye Name: 6-(1H-imidazol-5-yl)-3-methyl-3-(m-tolyl)-5-(p-tolylsulfonyl)-1H-benzimidazol-3-ium-2-one CAS Name: 6-(1H-imidazol-5-yl)-3-methyl-3-(3-methylphenyl)-5-(4-methylphenyl)sulfonyl-1H-benzimidazol-3-ium-2-one IUPAC Name: 6-(1H-imidazol-5-yl)-3-methyl-3-(3-methylphenyl)-5-(4-methylphenyl)sulfonyl-1H-benzimidazol-3-ium-2-one Traditional Name: 6-(1H-imidazol-5-yl)-3-methyl-3-(m-tolyl)-5-tosyl-1H-benzimidazol-3-ium-2-one Formula: C25H23N4O3S+ MolecularWeight: 459.54012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=CC3=C(C=C2C4=CN=CN4)NC(=O)[N+]3(C)C5=CC=CC(=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=CC3=C(C=C2C4=CN=CN4)NC(=O)[N+]3(C)C5=CC=CC(=C5)C

InChI

InChI=1S/C25H22N4O3S/c1-16-7-9-19(10-8-16)33(31,32)24-13-23-21(12-20(24)22-14-26-15-27-22)28-25(30)29(23,3)18-6-4-5-17(2)11-18/h4-15H,1-3H3,(H-,26,27,28,30)/p+1