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

Systemtic Name: methyl 5-(4-methoxyphenyl)carbonyl-1-(4-sulfamoylphenyl)-1,2,3-triazole-4-carboxylate Openeye Name: methyl 5-(4-methoxybenzoyl)-1-(4-sulfamoylphenyl)triazole-4-carboxylate CAS Name: 5-[(4-methoxyphenyl)-oxomethyl]-1-(4-sulfamoylphenyl)-4-triazolecarboxylic acid methyl ester IUPAC Name: methyl 5-(4-methoxybenzoyl)-1-(4-sulfamoylphenyl)triazole-4-carboxylate Traditional Name: 5-p-anisoyl-1-(4-sulfamoylphenyl)triazole-4-carboxylic acid methyl ester Formula: C18H16N4O6S MolecularWeight: 416.40784

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C2=C(N=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C2=C(N=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(=O)OC

InChI

InChI=1S/C18H16N4O6S/c1-27-13-7-3-11(4-8-13)17(23)16-15(18(24)28-2)20-21-22(16)12-5-9-14(10-6-12)29(19,25)26/h3-10H,1-2H3,(H2,19,25,26)