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

Systemtic Name: N-(4-bromanyl-2-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-(4-bromo-2-fluoro-phenyl)acetamide CAS Name: 2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]thio]-N-(4-bromo-2-fluorophenyl)acetamide IUPAC Name: 2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N-(4-bromo-2-fluorophenyl)acetamide Traditional Name: 2-[(3-besyl-1H-benzimidazol-3-ium-2-yl)thio]-N-(4-bromo-2-fluoro-phenyl)acetamide Formula: C21H16BrFN3O3S2+ MolecularWeight: 521.402443

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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=C(C=C(C=C4)Br)F

Isomeric SMILES

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

InChI

InChI=1S/C21H15BrFN3O3S2/c22-14-10-11-17(16(23)12-14)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