methyl 3-[2-[(4-methylphenyl)sulfonylcarbamoylamino]-4-(trifluoromethyl)phenoxy]thiophene-2-carboxylate

Systemtic Name: methyl 3-[2-[(4-methylphenyl)sulfonylcarbamoylamino]-4-(trifluoromethyl)phenoxy]thiophene-2-carboxylate Openeye Name: methyl 3-[2-(p-tolylsulfonylcarbamoylamino)-4-(trifluoromethyl)phenoxy]thiophene-2-carboxylate CAS Name: 3-[2-[[[(4-methylphenyl)sulfonylamino]-oxomethyl]amino]-4-(trifluoromethyl)phenoxy]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[2-[(4-methylphenyl)sulfonylcarbamoylamino]-4-(trifluoromethyl)phenoxy]thiophene-2-carboxylate Traditional Name: 3-[2-(tosylcarbamoylamino)-4-(trifluoromethyl)phenoxy]thiophene-2-carboxylic acid methyl ester Formula: C21H17F3N2O6S2 MolecularWeight: 514.49469

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=C(C=CC(=C2)C(F)(F)F)OC3=C(SC=C3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=C(C=CC(=C2)C(F)(F)F)OC3=C(SC=C3)C(=O)OC

InChI

InChI=1S/C21H17F3N2O6S2/c1-12-3-6-14(7-4-12)34(29,30)26-20(28)25-15-11-13(21(22,23)24)5-8-16(15)32-17-9-10-33-18(17)19(27)31-2/h3-11H,1-2H3,(H2,25,26,28)