methyl 2-[[4-methoxy-6-(trifluoromethyloxy)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]benzoate

Systemtic Name: methyl 2-[[4-methoxy-6-(trifluoromethyloxy)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]benzoate Openeye Name: methyl 2-[[4-methoxy-6-(trifluoromethoxy)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]benzoate CAS Name: 2-[[[[4-methoxy-6-(trifluoromethoxy)-1,3,5-triazin-2-yl]amino]-oxomethyl]sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-methoxy-6-(trifluoromethoxy)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]benzoate Traditional Name: 2-[[4-methoxy-6-(trifluoromethoxy)-s-triazin-2-yl]carbamoylsulfamoyl]benzoic acid methyl ester Formula: C14H12F3N5O7S MolecularWeight: 451.33459

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC)OC(F)(F)F

Isomeric SMILES

COC1=NC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC)OC(F)(F)F

InChI

InChI=1S/C14H12F3N5O7S/c1-27-9(23)7-5-3-4-6-8(7)30(25,26)22-11(24)18-10-19-12(28-2)21-13(20-10)29-14(15,16)17/h3-6H,1-2H3,(H2,18,19,20,21,22,24)