methyl 3-(2-pyrrolidin-1-ylethylcarbamoyl)-5-(trifluoromethylsulfonyloxy)benzoate

Systemtic Name: methyl 3-(2-pyrrolidin-1-ylethylcarbamoyl)-5-(trifluoromethylsulfonyloxy)benzoate Openeye Name: methyl 3-(2-pyrrolidin-1-ylethylcarbamoyl)-5-(trifluoromethylsulfonyloxy)benzoate CAS Name: 3-[oxo-[2-(1-pyrrolidinyl)ethylamino]methyl]-5-(trifluoromethylsulfonyloxy)benzoic acid methyl ester IUPAC Name: methyl 3-(2-pyrrolidin-1-ylethylcarbamoyl)-5-(trifluoromethylsulfonyloxy)benzoate Traditional Name: 3-(2-pyrrolidinoethylcarbamoyl)-5-triflyloxy-benzoic acid methyl ester Formula: C16H19F3N2O6S MolecularWeight: 424.39207

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NCCN2CCCC2)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NCCN2CCCC2)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C16H19F3N2O6S/c1-26-15(23)12-8-11(14(22)20-4-7-21-5-2-3-6-21)9-13(10-12)27-28(24,25)16(17,18)19/h8-10H,2-7H2,1H3,(H,20,22)