methyl 5-(3,4-dichlorophenyl)carbonyl-1-(4-sulfamoylphenyl)-1,2,3-triazole-4-carboxylate

Systemtic Name: methyl 5-(3,4-dichlorophenyl)carbonyl-1-(4-sulfamoylphenyl)-1,2,3-triazole-4-carboxylate Openeye Name: methyl 5-(3,4-dichlorobenzoyl)-1-(4-sulfamoylphenyl)triazole-4-carboxylate CAS Name: 5-[(3,4-dichlorophenyl)-oxomethyl]-1-(4-sulfamoylphenyl)-4-triazolecarboxylic acid methyl ester IUPAC Name: methyl 5-(3,4-dichlorobenzoyl)-1-(4-sulfamoylphenyl)triazole-4-carboxylate Traditional Name: 5-(3,4-dichlorobenzoyl)-1-(4-sulfamoylphenyl)triazole-4-carboxylic acid methyl ester Formula: C17H12Cl2N4O5S MolecularWeight: 455.27198

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(N=N1)C2=CC=C(C=C2)S(=O)(=O)N)C(=O)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

COC(=O)C1=C(N(N=N1)C2=CC=C(C=C2)S(=O)(=O)N)C(=O)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C17H12Cl2N4O5S/c1-28-17(25)14-15(16(24)9-2-7-12(18)13(19)8-9)23(22-21-14)10-3-5-11(6-4-10)29(20,26)27/h2-8H,1H3,(H2,20,26,27)