1-[(4-chloranyl-3-sulfamoyl-phenyl)carbonylamino]-2-(phenylmethylsulfanyl)benzimidazole-5-carboxylic acid

Systemtic Name: 1-[(4-chloranyl-3-sulfamoyl-phenyl)carbonylamino]-2-(phenylmethylsulfanyl)benzimidazole-5-carboxylic acid Openeye Name: 2-benzylsulfanyl-1-[(4-chloro-3-sulfamoyl-benzoyl)amino]benzimidazole-5-carboxylic acid CAS Name: 1-[[(4-chloro-3-sulfamoylphenyl)-oxomethyl]amino]-2-(phenylmethylthio)-5-benzimidazolecarboxylic acid IUPAC Name: 2-benzylsulfanyl-1-[(4-chloro-3-sulfamoylbenzoyl)amino]benzimidazole-5-carboxylic acid Traditional Name: 2-(benzylthio)-1-[(4-chloro-3-sulfamoyl-benzoyl)amino]benzimidazole-5-carboxylic acid Formula: C22H17ClN4O5S2 MolecularWeight: 516.97718

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC3=C(N2NC(=O)C4=CC(=C(C=C4)Cl)S(=O)(=O)N)C=CC(=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC3=C(N2NC(=O)C4=CC(=C(C=C4)Cl)S(=O)(=O)N)C=CC(=C3)C(=O)O

InChI

InChI=1S/C22H17ClN4O5S2/c23-16-8-6-14(11-19(16)34(24,31)32)20(28)26-27-18-9-7-15(21(29)30)10-17(18)25-22(27)33-12-13-4-2-1-3-5-13/h1-11H,12H2,(H,26,28)(H,29,30)(H2,24,31,32)