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

Systemtic Name: methyl 1-[(4-chloranyl-3-sulfamoyl-phenyl)carbonylamino]-2-(phenylmethylsulfanyl)benzimidazole-5-carboxylate Openeye Name: methyl 2-benzylsulfanyl-1-[(4-chloro-3-sulfamoyl-benzoyl)amino]benzimidazole-5-carboxylate CAS Name: 1-[[(4-chloro-3-sulfamoylphenyl)-oxomethyl]amino]-2-(phenylmethylthio)-5-benzimidazolecarboxylic acid methyl ester IUPAC Name: methyl 2-benzylsulfanyl-1-[(4-chloro-3-sulfamoylbenzoyl)amino]benzimidazole-5-carboxylate Traditional Name: 2-(benzylthio)-1-[(4-chloro-3-sulfamoyl-benzoyl)amino]benzimidazole-5-carboxylic acid methyl ester Formula: C23H19ClN4O5S2 MolecularWeight: 531.00376

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N(C(=N2)SCC3=CC=CC=C3)NC(=O)C4=CC(=C(C=C4)Cl)S(=O)(=O)N

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N(C(=N2)SCC3=CC=CC=C3)NC(=O)C4=CC(=C(C=C4)Cl)S(=O)(=O)N

InChI

InChI=1S/C23H19ClN4O5S2/c1-33-22(30)16-8-10-19-18(11-16)26-23(34-13-14-5-3-2-4-6-14)28(19)27-21(29)15-7-9-17(24)20(12-15)35(25,31)32/h2-12H,13H2,1H3,(H,27,29)(H2,25,31,32)