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

Systemtic Name: (phenylmethyl) 2-methyl-2-[5-(trifluoromethyl)pyridin-2-yl]sulfonyl-propanoate Openeye Name: benzyl 2-methyl-2-[[5-(trifluoromethyl)-2-pyridyl]sulfonyl]propanoate CAS Name: 2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-methyl-2-[5-(trifluoromethyl)pyridin-2-yl]sulfonylpropanoate Traditional Name: 2-methyl-2-[[5-(trifluoromethyl)-2-pyridyl]sulfonyl]propionic acid benzyl ester Formula: C17H16F3NO4S MolecularWeight: 387.37345

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)OCC1=CC=CC=C1)S(=O)(=O)C2=NC=C(C=C2)C(F)(F)F

Isomeric SMILES

CC(C)(C(=O)OCC1=CC=CC=C1)S(=O)(=O)C2=NC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C17H16F3NO4S/c1-16(2,15(22)25-11-12-6-4-3-5-7-12)26(23,24)14-9-8-13(10-21-14)17(18,19)20/h3-10H,11H2,1-2H3