N-(2-ethyl-6-methyl-phenyl)-2-[[3-(phenylsulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanamide

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-2-[[3-(phenylsulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanamide Openeye Name: 2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N-(2-ethyl-6-methyl-phenyl)acetamide CAS Name: 2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]thio]-N-(2-ethyl-6-methylphenyl)acetamide IUPAC Name: 2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide Traditional Name: 2-[(3-besyl-1H-benzimidazol-3-ium-2-yl)thio]-N-(2-ethyl-6-methyl-phenyl)acetamide Formula: C24H24N3O3S2+ MolecularWeight: 466.59566

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CSC2=[N+](C3=CC=CC=C3N2)S(=O)(=O)C4=CC=CC=C4)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CSC2=[N+](C3=CC=CC=C3N2)S(=O)(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C24H23N3O3S2/c1-3-18-11-9-10-17(2)23(18)26-22(28)16-31-24-25-20-14-7-8-15-21(20)27(24)32(29,30)19-12-5-4-6-13-19/h4-15H,3,16H2,1-2H3,(H,26,28)/p+1