2-[[4,6-bis(trifluoromethyloxy)pyrimidin-2-yl]carbamoylsulfinamoyl]benzoic acid

Systemtic Name: 2-[[4,6-bis(trifluoromethyloxy)pyrimidin-2-yl]carbamoylsulfinamoyl]benzoic acid Openeye Name: 2-[[4,6-bis(trifluoromethoxy)pyrimidin-2-yl]carbamoylsulfinamoyl]benzoic acid CAS Name: 2-[[[4,6-bis(trifluoromethoxy)-2-pyrimidinyl]amino]-oxomethyl]sulfinamoylbenzoic acid IUPAC Name: 2-[[4,6-bis(trifluoromethoxy)pyrimidin-2-yl]carbamoylsulfinamoyl]benzoic acid Traditional Name: 2-[[4,6-bis(trifluoromethoxy)pyrimidin-2-yl]carbamoylsulfinamoyl]benzoic acid Formula: C14H8F6N4O6S MolecularWeight: 474.291939

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)S(=O)NC(=O)NC2=NC(=CC(=N2)OC(F)(F)F)OC(F)(F)F

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)S(=O)NC(=O)NC2=NC(=CC(=N2)OC(F)(F)F)OC(F)(F)F

InChI

InChI=1S/C14H8F6N4O6S/c15-13(16,17)29-8-5-9(30-14(18,19)20)22-11(21-8)23-12(27)24-31(28)7-4-2-1-3-6(7)10(25)26/h1-5H,(H,25,26)(H2,21,22,23,24,27)