N,N-diethyl-3-(3-pyridin-2-yl-1H-benzimidazol-3-ium-2-yl)benzenesulfonamide chloride

Systemtic Name: N,N-diethyl-3-(3-pyridin-2-yl-1H-benzimidazol-3-ium-2-yl)benzenesulfonamide chloride Openeye Name: N,N-diethyl-3-[3-(2-pyridyl)-1H-benzimidazol-3-ium-2-yl]benzenesulfonamide chloride CAS Name: N,N-diethyl-3-[3-(2-pyridinyl)-1H-benzimidazol-3-ium-2-yl]benzenesulfonamide chloride IUPAC Name: N,N-diethyl-3-(3-pyridin-2-yl-1H-benzimidazol-3-ium-2-yl)benzenesulfonamide chloride Traditional Name: N,N-diethyl-3-[3-(2-pyridyl)-1H-benzimidazol-3-ium-2-yl]benzenesulfonamide chloride Formula: C22H23ClN4O2S MolecularWeight: 442.96162

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=[N+](C3=CC=CC=C3N2)C4=CC=CC=N4.[Cl-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=[N+](C3=CC=CC=C3N2)C4=CC=CC=N4.[Cl-]

InChI

InChI=1S/C22H22N4O2S.ClH/c1-3-25(4-2)29(27,28)18-11-9-10-17(16-18)22-24-19-12-5-6-13-20(19)26(22)21-14-7-8-15-23-21;/h5-16H,3-4H2,1-2H3;1H