N-(4-iodanyl-2-methyl-phenyl)-2-[[3-(phenylsulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-iodanyl-2-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-(4-iodo-2-methyl-phenyl)acetamide CAS Name: 2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]thio]-N-(4-iodo-2-methylphenyl)acetamide IUPAC Name: 2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N-(4-iodo-2-methylphenyl)acetamide Traditional Name: 2-[(3-besyl-1H-benzimidazol-3-ium-2-yl)thio]-N-(4-iodo-2-methyl-phenyl)acetamide Formula: C22H19IN3O3S2+ MolecularWeight: 564.43903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)NC(=O)CSC2=[N+](C3=CC=CC=C3N2)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)I)NC(=O)CSC2=[N+](C3=CC=CC=C3N2)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H18IN3O3S2/c1-15-13-16(23)11-12-18(15)24-21(27)14-30-22-25-19-9-5-6-10-20(19)26(22)31(28,29)17-7-3-2-4-8-17/h2-13H,14H2,1H3,(H,24,27)/p+1