N-(4-bromanyl-2-fluoranyl-phenyl)-2-[1-(3-nitrophenyl)sulfonylbenzimidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-2-[1-(3-nitrophenyl)sulfonylbenzimidazol-2-yl]sulfanyl-ethanamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-2-[1-(3-nitrophenyl)sulfonylbenzimidazol-2-yl]sulfanyl-acetamide CAS Name: N-(4-bromo-2-fluorophenyl)-2-[[1-(3-nitrophenyl)sulfonyl-2-benzimidazolyl]thio]acetamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-2-[1-(3-nitrophenyl)sulfonylbenzimidazol-2-yl]sulfanylacetamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-2-[[1-(3-nitrophenyl)sulfonylbenzimidazol-2-yl]thio]acetamide Formula: C21H14BrFN4O5S2 MolecularWeight: 565.392063

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(N2S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])SCC(=O)NC4=C(C=C(C=C4)Br)F

Isomeric SMILES

C1=CC=C2C(=C1)N=C(N2S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])SCC(=O)NC4=C(C=C(C=C4)Br)F

InChI

InChI=1S/C21H14BrFN4O5S2/c22-13-8-9-17(16(23)10-13)24-20(28)12-33-21-25-18-6-1-2-7-19(18)26(21)34(31,32)15-5-3-4-14(11-15)27(29)30/h1-11H,12H2,(H,24,28)