methyl 4-[(phenylmethyl)carbamoyl]-5-(trifluoromethylsulfonyloxy)pyridine-2-carboxylate

Systemtic Name: methyl 4-[(phenylmethyl)carbamoyl]-5-(trifluoromethylsulfonyloxy)pyridine-2-carboxylate Openeye Name: methyl 4-(benzylcarbamoyl)-5-(trifluoromethylsulfonyloxy)pyridine-2-carboxylate CAS Name: 4-[oxo-[(phenylmethyl)amino]methyl]-5-(trifluoromethylsulfonyloxy)-2-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 4-(benzylcarbamoyl)-5-(trifluoromethylsulfonyloxy)pyridine-2-carboxylate Traditional Name: 4-(benzylcarbamoyl)-5-triflyloxy-picolinic acid methyl ester Formula: C16H13F3N2O6S MolecularWeight: 418.34443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NC=C(C(=C1)C(=O)NCC2=CC=CC=C2)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

COC(=O)C1=NC=C(C(=C1)C(=O)NCC2=CC=CC=C2)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C16H13F3N2O6S/c1-26-15(23)12-7-11(14(22)21-8-10-5-3-2-4-6-10)13(9-20-12)27-28(24,25)16(17,18)19/h2-7,9H,8H2,1H3,(H,21,22)