(phenylmethyl) 5-(2-methylpropylcarbamoyl)-2-(trifluoromethylsulfonyloxy)benzoate

Systemtic Name: (phenylmethyl) 5-(2-methylpropylcarbamoyl)-2-(trifluoromethylsulfonyloxy)benzoate Openeye Name: benzyl 5-(isobutylcarbamoyl)-2-(trifluoromethylsulfonyloxy)benzoate CAS Name: 5-[(2-methylpropylamino)-oxomethyl]-2-(trifluoromethylsulfonyloxy)benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 5-(2-methylpropylcarbamoyl)-2-(trifluoromethylsulfonyloxy)benzoate Traditional Name: 5-(isobutylcarbamoyl)-2-triflyloxy-benzoic acid benzyl ester Formula: C20H20F3NO6S MolecularWeight: 459.43611

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CC(=C(C=C1)OS(=O)(=O)C(F)(F)F)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)CNC(=O)C1=CC(=C(C=C1)OS(=O)(=O)C(F)(F)F)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C20H20F3NO6S/c1-13(2)11-24-18(25)15-8-9-17(30-31(27,28)20(21,22)23)16(10-15)19(26)29-12-14-6-4-3-5-7-14/h3-10,13H,11-12H2,1-2H3,(H,24,25)