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

Systemtic Name: 4-chloranyl-2-[[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]benzoate Openeye Name: 4-chloro-2-[[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]benzoate CAS Name: 4-chloro-2-[[[[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]amino]-oxomethyl]sulfamoyl]benzoate IUPAC Name: 4-chloro-2-[[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]benzoate Traditional Name: 4-chloro-2-[[4-methoxy-6-(trifluoromethyl)-s-triazin-2-yl]carbamoylsulfamoyl]benzoate Formula: C13H8ClF3N5O6S- MolecularWeight: 454.74573

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC(=N1)NC(=O)NS(=O)(=O)C2=C(C=CC(=C2)Cl)C(=O)[O-])C(F)(F)F

Isomeric SMILES

COC1=NC(=NC(=N1)NC(=O)NS(=O)(=O)C2=C(C=CC(=C2)Cl)C(=O)[O-])C(F)(F)F

InChI

InChI=1S/C13H9ClF3N5O6S/c1-28-12-19-9(13(15,16)17)18-10(21-12)20-11(25)22-29(26,27)7-4-5(14)2-3-6(7)8(23)24/h2-4H,1H3,(H,23,24)(H2,18,19,20,21,22,25)/p-1