[3-(2,2-dimethylpropanoylamino)-4-iodanyl-6-methyl-pyridin-2-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [3-(2,2-dimethylpropanoylamino)-4-iodanyl-6-methyl-pyridin-2-yl] tris(fluoranyl)methanesulfonate Openeye Name: [3-(2,2-dimethylpropanoylamino)-4-iodo-6-methyl-2-pyridyl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [3-[(2,2-dimethyl-1-oxopropyl)amino]-4-iodo-6-methyl-2-pyridinyl] ester IUPAC Name: [3-(2,2-dimethylpropanoylamino)-4-iodo-6-methylpyridin-2-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [4-iodo-6-methyl-3-(pivaloylamino)-2-pyridyl] ester Formula: C12H14F3IN2O4S MolecularWeight: 466.21524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)I)NC(=O)C(C)(C)C)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CC1=NC(=C(C(=C1)I)NC(=O)C(C)(C)C)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C12H14F3IN2O4S/c1-6-5-7(16)8(18-10(19)11(2,3)4)9(17-6)22-23(20,21)12(13,14)15/h5H,1-4H3,(H,18,19)