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

Systemtic Name: methyl 5-(2-methylpropylcarbamoyl)-2-(trifluoromethylsulfonyloxy)benzoate Openeye Name: methyl 5-(isobutylcarbamoyl)-2-(trifluoromethylsulfonyloxy)benzoate CAS Name: 5-[(2-methylpropylamino)-oxomethyl]-2-(trifluoromethylsulfonyloxy)benzoic acid methyl ester IUPAC Name: methyl 5-(2-methylpropylcarbamoyl)-2-(trifluoromethylsulfonyloxy)benzoate Traditional Name: 5-(isobutylcarbamoyl)-2-triflyloxy-benzoic acid methyl ester Formula: C14H16F3NO6S MolecularWeight: 383.34015

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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)OC

Isomeric SMILES

CC(C)CNC(=O)C1=CC(=C(C=C1)OS(=O)(=O)C(F)(F)F)C(=O)OC

InChI

InChI=1S/C14H16F3NO6S/c1-8(2)7-18-12(19)9-4-5-11(10(6-9)13(20)23-3)24-25(21,22)14(15,16)17/h4-6,8H,7H2,1-3H3,(H,18,19)