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

Systemtic Name: methyl 1-[(4-chloranyl-3-sulfamoyl-phenyl)carbonylamino]-2-methylsulfanyl-benzimidazole-5-carboxylate Openeye Name: methyl 1-[(4-chloro-3-sulfamoyl-benzoyl)amino]-2-methylsulfanyl-benzimidazole-5-carboxylate CAS Name: 1-[[(4-chloro-3-sulfamoylphenyl)-oxomethyl]amino]-2-(methylthio)-5-benzimidazolecarboxylic acid methyl ester IUPAC Name: methyl 1-[(4-chloro-3-sulfamoylbenzoyl)amino]-2-methylsulfanylbenzimidazole-5-carboxylate Traditional Name: 1-[(4-chloro-3-sulfamoyl-benzoyl)amino]-2-(methylthio)benzimidazole-5-carboxylic acid methyl ester Formula: C17H15ClN4O5S2 MolecularWeight: 454.9078

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N(C(=N2)SC)NC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N(C(=N2)SC)NC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N

InChI

InChI=1S/C17H15ClN4O5S2/c1-27-16(24)10-4-6-13-12(7-10)20-17(28-2)22(13)21-15(23)9-3-5-11(18)14(8-9)29(19,25)26/h3-8H,1-2H3,(H,21,23)(H2,19,25,26)