N-(5-bromanylpyridin-2-yl)-2-[[3-(phenylsulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanamide

Systemtic Name: N-(5-bromanylpyridin-2-yl)-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-bromo-2-pyridyl)acetamide CAS Name: 2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]thio]-N-(5-bromo-2-pyridinyl)acetamide IUPAC Name: 2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N-(5-bromopyridin-2-yl)acetamide Traditional Name: 2-[(3-besyl-1H-benzimidazol-3-ium-2-yl)thio]-N-(5-bromo-2-pyridyl)acetamide Formula: C20H16BrN4O3S2+ MolecularWeight: 504.40004

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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=NC=C(C=C4)Br

Isomeric SMILES

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

InChI

InChI=1S/C20H15BrN4O3S2/c21-14-10-11-18(22-12-14)24-19(26)13-29-20-23-16-8-4-5-9-17(16)25(20)30(27,28)15-6-2-1-3-7-15/h1-12H,13H2,(H,22,24,26)/p+1