2-[(6-methoxy-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]ethanamide chloride

Systemtic Name: 2-[(6-methoxy-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]ethanamide chloride Openeye Name: 2-[(6-methoxy-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-[4-(2-pyridylsulfamoyl)phenyl]acetamide chloride CAS Name: 2-[(6-methoxy-1H-benzimidazol-3-ium-2-yl)thio]-N-[4-(2-pyridinylsulfamoyl)phenyl]acetamide chloride IUPAC Name: 2-[(6-methoxy-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide chloride Traditional Name: 2-[(6-methoxy-1H-benzimidazol-3-ium-2-yl)thio]-N-[4-(2-pyridylsulfamoyl)phenyl]acetamide chloride Formula: C21H20ClN5O4S2 MolecularWeight: 505.9976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)[NH+]=C(N2)SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=CC=CC=N4.[Cl-]

Isomeric SMILES

COC1=CC2=C(C=C1)[NH+]=C(N2)SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=CC=CC=N4.[Cl-]

InChI

InChI=1S/C21H19N5O4S2.ClH/c1-30-15-7-10-17-18(12-15)25-21(24-17)31-13-20(27)23-14-5-8-16(9-6-14)32(28,29)26-19-4-2-3-11-22-19;/h2-12H,13H2,1H3,(H,22,26)(H,23,27)(H,24,25);1H