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

Systemtic Name: 2-[[3-(phenylsulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N-pyrimidin-2-yl-ethanamide Openeye Name: 2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N-pyrimidin-2-yl-acetamide CAS Name: 2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]thio]-N-(2-pyrimidinyl)acetamide IUPAC Name: 2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N-pyrimidin-2-ylacetamide Traditional Name: 2-[(3-besyl-1H-benzimidazol-3-ium-2-yl)thio]-N-(2-pyrimidyl)acetamide Formula: C19H16N5O3S2+ MolecularWeight: 426.49204

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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=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)[N+]2=C(NC3=CC=CC=C32)SCC(=O)NC4=NC=CC=N4

InChI

InChI=1S/C19H15N5O3S2/c25-17(23-18-20-11-6-12-21-18)13-28-19-22-15-9-4-5-10-16(15)24(19)29(26,27)14-7-2-1-3-8-14/h1-12H,13H2,(H,20,21,23,25)/p+1