N-(4-bromanyl-2-fluoranyl-phenyl)-2-[1-(4-methylphenyl)sulfonylbenzimidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-2-[1-(4-methylphenyl)sulfonylbenzimidazol-2-yl]sulfanyl-ethanamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-2-[1-(p-tolylsulfonyl)benzimidazol-2-yl]sulfanyl-acetamide CAS Name: N-(4-bromo-2-fluorophenyl)-2-[[1-(4-methylphenyl)sulfonyl-2-benzimidazolyl]thio]acetamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-2-[1-(4-methylphenyl)sulfonylbenzimidazol-2-yl]sulfanylacetamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-2-[(1-tosylbenzimidazol-2-yl)thio]acetamide Formula: C22H17BrFN3O3S2 MolecularWeight: 534.421083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=C(C=C4)Br)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=C(C=C4)Br)F

InChI

InChI=1S/C22H17BrFN3O3S2/c1-14-6-9-16(10-7-14)32(29,30)27-20-5-3-2-4-19(20)26-22(27)31-13-21(28)25-18-11-8-15(23)12-17(18)24/h2-12H,13H2,1H3,(H,25,28)