methyl 4-[(4-chloranyl-3-sulfamoyl-phenyl)carbonylamino]-2-oxidanylidene-benzimidazole-5-carboxylate

Systemtic Name: methyl 4-[(4-chloranyl-3-sulfamoyl-phenyl)carbonylamino]-2-oxidanylidene-benzimidazole-5-carboxylate Openeye Name: methyl 4-[(4-chloro-3-sulfamoyl-benzoyl)amino]-2-oxo-benzimidazole-5-carboxylate CAS Name: 4-[[(4-chloro-3-sulfamoylphenyl)-oxomethyl]amino]-2-oxo-5-benzimidazolecarboxylic acid methyl ester IUPAC Name: methyl 4-[(4-chloro-3-sulfamoylbenzoyl)amino]-2-oxobenzimidazole-5-carboxylate Traditional Name: 4-[(4-chloro-3-sulfamoyl-benzoyl)amino]-2-keto-benzimidazole-5-carboxylic acid methyl ester Formula: C16H11ClN4O6S MolecularWeight: 422.79974

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=NC(=O)N=C2C=C1)NC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N

Isomeric SMILES

COC(=O)C1=C(C2=NC(=O)N=C2C=C1)NC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N

InChI

InChI=1S/C16H11ClN4O6S/c1-27-15(23)8-3-5-10-13(21-16(24)19-10)12(8)20-14(22)7-2-4-9(17)11(6-7)28(18,25)26/h2-6H,1H3,(H,20,22)(H2,18,25,26)