1-(4,6-dimethoxypyrimidin-2-yl)-3-[3-[2,2,2-tris(fluoranyl)ethoxy]pyridin-2-yl]sulfonyl-urea; methyl N-(4-aminophenyl)sulfonylcarbamate

Systemtic Name: 1-(4,6-dimethoxypyrimidin-2-yl)-3-[3-[2,2,2-tris(fluoranyl)ethoxy]pyridin-2-yl]sulfonyl-urea; methyl N-(4-aminophenyl)sulfonylcarbamate Openeye Name: 1-(4,6-dimethoxypyrimidin-2-yl)-3-[[3-(2,2,2-trifluoroethoxy)-2-pyridyl]sulfonyl]urea; methyl N-(4-aminophenyl)sulfonylcarbamate CAS Name: N-(4-aminophenyl)sulfonylcarbamic acid methyl ester; 1-(4,6-dimethoxy-2-pyrimidinyl)-3-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]sulfonyl]urea IUPAC Name: 1-(4,6-dimethoxypyrimidin-2-yl)-3-[3-(2,2,2-trifluoroethoxy)pyridin-2-yl]sulfonylurea; methyl N-(4-aminophenyl)sulfonylcarbamate Traditional Name: 1-(4,6-dimethoxypyrimidin-2-yl)-3-[[3-(2,2,2-trifluoroethoxy)-2-pyridyl]sulfonyl]urea; N-sulfanilylcarbamic acid methyl ester Formula: C22H24F3N7O10S2 MolecularWeight: 667.59207

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=C(C=CC=N2)OCC(F)(F)F)OC.COC(=O)NS(=O)(=O)C1=CC=C(C=C1)N

Isomeric SMILES

COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=C(C=CC=N2)OCC(F)(F)F)OC.COC(=O)NS(=O)(=O)C1=CC=C(C=C1)N

InChI

InChI=1S/C14H14F3N5O6S.C8H10N2O4S/c1-26-9-6-10(27-2)20-12(19-9)21-13(23)22-29(24,25)11-8(4-3-5-18-11)28-7-14(15,16)17;1-14-8(11)10-15(12,13)7-4-2-6(9)3-5-7/h3-6H,7H2,1-2H3,(H2,19,20,21,22,23);2-5H,9H2,1H3,(H,10,11)