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

Systemtic Name: [3-(2,2-dimethylpropanoylamino)-4-iodanyl-pyridin-2-yl] tris(fluoranyl)methanesulfonate Openeye Name: [3-(2,2-dimethylpropanoylamino)-4-iodo-2-pyridyl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [3-[(2,2-dimethyl-1-oxopropyl)amino]-4-iodo-2-pyridinyl] ester IUPAC Name: [3-(2,2-dimethylpropanoylamino)-4-iodopyridin-2-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [4-iodo-3-(pivaloylamino)-2-pyridyl] ester Formula: C11H12F3IN2O4S MolecularWeight: 452.18866

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=C(C=CN=C1OS(=O)(=O)C(F)(F)F)I

Isomeric SMILES

CC(C)(C)C(=O)NC1=C(C=CN=C1OS(=O)(=O)C(F)(F)F)I

InChI

InChI=1S/C11H12F3IN2O4S/c1-10(2,3)9(18)17-7-6(15)4-5-16-8(7)21-22(19,20)11(12,13)14/h4-5H,1-3H3,(H,17,18)