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

Systemtic Name: 2-[[4-methoxy-6-(trifluoromethyloxy)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]benzoic acid Openeye Name: 2-[[4-methoxy-6-(trifluoromethoxy)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]benzoic acid CAS Name: 2-[[[[4-methoxy-6-(trifluoromethoxy)-1,3,5-triazin-2-yl]amino]-oxomethyl]sulfamoyl]benzoic acid IUPAC Name: 2-[[4-methoxy-6-(trifluoromethoxy)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]benzoic acid Traditional Name: 2-[[4-methoxy-6-(trifluoromethoxy)-s-triazin-2-yl]carbamoylsulfamoyl]benzoic acid Formula: C13H10F3N5O7S MolecularWeight: 437.30801

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10F3N5O7S/c1-27-11-18-9(19-12(20-11)28-13(14,15)16)17-10(24)21-29(25,26)7-5-3-2-4-6(7)8(22)23/h2-5H,1H3,(H,22,23)(H2,17,18,19,20,21,24)