N-(5-chloranyl-2,4-dimethoxy-phenyl)-2-[[3-(phenylsulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanamide

Systemtic Name: N-(5-chloranyl-2,4-dimethoxy-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-(5-chloro-2,4-dimethoxy-phenyl)acetamide CAS Name: 2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]thio]-N-(5-chloro-2,4-dimethoxyphenyl)acetamide IUPAC Name: 2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N-(5-chloro-2,4-dimethoxyphenyl)acetamide Traditional Name: 2-[(3-besyl-1H-benzimidazol-3-ium-2-yl)thio]-N-(5-chloro-2,4-dimethoxy-phenyl)acetamide Formula: C23H21ClN3O5S2+ MolecularWeight: 519.01294

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)CSC2=[N+](C3=CC=CC=C3N2)S(=O)(=O)C4=CC=CC=C4)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)CSC2=[N+](C3=CC=CC=C3N2)S(=O)(=O)C4=CC=CC=C4)Cl)OC

InChI

InChI=1S/C23H20ClN3O5S2/c1-31-20-13-21(32-2)18(12-16(20)24)25-22(28)14-33-23-26-17-10-6-7-11-19(17)27(23)34(29,30)15-8-4-3-5-9-15/h3-13H,14H2,1-2H3,(H,25,28)/p+1