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

Systemtic Name: N-(3-chloranyl-4-fluoranyl-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-(3-chloro-4-fluoro-phenyl)acetamide CAS Name: 2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]thio]-N-(3-chloro-4-fluorophenyl)acetamide IUPAC Name: 2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N-(3-chloro-4-fluorophenyl)acetamide Traditional Name: 2-[(3-besyl-1H-benzimidazol-3-ium-2-yl)thio]-N-(3-chloro-4-fluoro-phenyl)acetamide Formula: C21H16ClFN3O3S2+ MolecularWeight: 476.951443

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)[N+]2=C(NC3=CC=CC=C32)SCC(=O)NC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)[N+]2=C(NC3=CC=CC=C32)SCC(=O)NC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C21H15ClFN3O3S2/c22-16-12-14(10-11-17(16)23)24-20(27)13-30-21-25-18-8-4-5-9-19(18)26(21)31(28,29)15-6-2-1-3-7-15/h1-12H,13H2,(H,24,27)/p+1