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

Systemtic Name: 2-[[3-(phenylsulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N-pyridin-4-yl-ethanamide Openeye Name: 2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N-(4-pyridyl)acetamide CAS Name: 2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]thio]-N-pyridin-4-ylacetamide IUPAC Name: 2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N-pyridin-4-ylacetamide Traditional Name: 2-[(3-besyl-1H-benzimidazol-3-ium-2-yl)thio]-N-(4-pyridyl)acetamide Formula: C20H17N4O3S2+ MolecularWeight: 425.50398

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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=NC=C4

Isomeric SMILES

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

InChI

InChI=1S/C20H16N4O3S2/c25-19(22-15-10-12-21-13-11-15)14-28-20-23-17-8-4-5-9-18(17)24(20)29(26,27)16-6-2-1-3-7-16/h1-13H,14H2,(H,21,22,25)/p+1