methyl 2-[[4-(dimethylamino)-6-[2,2,2-tris(fluoranyl)ethoxy]-1,3,5-triazin-2-yl]carbamoylsulfamoyl]-3-methyl-benzoate

Systemtic Name: methyl 2-[[4-(dimethylamino)-6-[2,2,2-tris(fluoranyl)ethoxy]-1,3,5-triazin-2-yl]carbamoylsulfamoyl]-3-methyl-benzoate Openeye Name: methyl 2-[[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]-3-methyl-benzoate CAS Name: 2-[[[[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-oxomethyl]sulfamoyl]-3-methylbenzoic acid methyl ester IUPAC Name: methyl 2-[[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]-3-methylbenzoate Traditional Name: 2-[[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-s-triazin-2-yl]carbamoylsulfamoyl]-3-methyl-benzoic acid methyl ester Formula: C17H19F3N6O6S MolecularWeight: 492.42957

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1S(=O)(=O)NC(=O)NC2=NC(=NC(=N2)OCC(F)(F)F)N(C)C)C(=O)OC

Isomeric SMILES

CC1=CC=CC(=C1S(=O)(=O)NC(=O)NC2=NC(=NC(=N2)OCC(F)(F)F)N(C)C)C(=O)OC

InChI

InChI=1S/C17H19F3N6O6S/c1-9-6-5-7-10(12(27)31-4)11(9)33(29,30)25-15(28)22-13-21-14(26(2)3)24-16(23-13)32-8-17(18,19)20/h5-7H,8H2,1-4H3,(H2,21,22,23,24,25,28)