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

Systemtic Name: 1-[(4-chloranyl-3-sulfamoyl-phenyl)carbonylamino]-2-methylsulfanyl-benzimidazole-5-carboxylic acid Openeye Name: 1-[(4-chloro-3-sulfamoyl-benzoyl)amino]-2-methylsulfanyl-benzimidazole-5-carboxylic acid CAS Name: 1-[[(4-chloro-3-sulfamoylphenyl)-oxomethyl]amino]-2-(methylthio)-5-benzimidazolecarboxylic acid IUPAC Name: 1-[(4-chloro-3-sulfamoylbenzoyl)amino]-2-methylsulfanylbenzimidazole-5-carboxylic acid Traditional Name: 1-[(4-chloro-3-sulfamoyl-benzoyl)amino]-2-(methylthio)benzimidazole-5-carboxylic acid Formula: C16H13ClN4O5S2 MolecularWeight: 440.88122

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(N1NC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N)C=CC(=C2)C(=O)O

Isomeric SMILES

CSC1=NC2=C(N1NC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N)C=CC(=C2)C(=O)O

InChI

InChI=1S/C16H13ClN4O5S2/c1-27-16-19-11-6-9(15(23)24)3-5-12(11)21(16)20-14(22)8-2-4-10(17)13(7-8)28(18,25)26/h2-7H,1H3,(H,20,22)(H,23,24)(H2,18,25,26)