[2-cyano-4-[(6-methylpyridin-2-yl)carbamoyl]phenyl] tris(fluoranyl)methanesulfonate

Systemtic Name: [2-cyano-4-[(6-methylpyridin-2-yl)carbamoyl]phenyl] tris(fluoranyl)methanesulfonate Openeye Name: [2-cyano-4-[(6-methyl-2-pyridyl)carbamoyl]phenyl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [2-cyano-4-[[(6-methyl-2-pyridinyl)amino]-oxomethyl]phenyl] ester IUPAC Name: [2-cyano-4-[(6-methylpyridin-2-yl)carbamoyl]phenyl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [2-cyano-4-[(6-methyl-2-pyridyl)carbamoyl]phenyl] ester Formula: C15H10F3N3O4S MolecularWeight: 385.31781

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)NC(=O)C2=CC(=C(C=C2)OS(=O)(=O)C(F)(F)F)C#N

Isomeric SMILES

CC1=NC(=CC=C1)NC(=O)C2=CC(=C(C=C2)OS(=O)(=O)C(F)(F)F)C#N

InChI

InChI=1S/C15H10F3N3O4S/c1-9-3-2-4-13(20-9)21-14(22)10-5-6-12(11(7-10)8-19)25-26(23,24)15(16,17)18/h2-7H,1H3,(H,20,21,22)