phenyl 2-methyl-2-[5-(trifluoromethyl)pyridin-2-yl]sulfonyl-propanoate

Systemtic Name: phenyl 2-methyl-2-[5-(trifluoromethyl)pyridin-2-yl]sulfonyl-propanoate Openeye Name: phenyl 2-methyl-2-[[5-(trifluoromethyl)-2-pyridyl]sulfonyl]propanoate CAS Name: 2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanoic acid phenyl ester IUPAC Name: phenyl 2-methyl-2-[5-(trifluoromethyl)pyridin-2-yl]sulfonylpropanoate Traditional Name: 2-methyl-2-[[5-(trifluoromethyl)-2-pyridyl]sulfonyl]propionic acid phenyl ester Formula: C16H14F3NO4S MolecularWeight: 373.34687

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)OC1=CC=CC=C1)S(=O)(=O)C2=NC=C(C=C2)C(F)(F)F

Isomeric SMILES

CC(C)(C(=O)OC1=CC=CC=C1)S(=O)(=O)C2=NC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C16H14F3NO4S/c1-15(2,14(21)24-12-6-4-3-5-7-12)25(22,23)13-9-8-11(10-20-13)16(17,18)19/h3-10H,1-2H3