[8-methyl-4-(trifluoromethylsulfonylmethyl)-8-azabicyclo[3.2.1]octan-3-yl] benzoate

Systemtic Name: [8-methyl-4-(trifluoromethylsulfonylmethyl)-8-azabicyclo[3.2.1]octan-3-yl] benzoate Openeye Name: [8-methyl-4-(trifluoromethylsulfonylmethyl)-8-azabicyclo[3.2.1]octan-3-yl] benzoate CAS Name: benzoic acid [8-methyl-4-(trifluoromethylsulfonylmethyl)-8-azabicyclo[3.2.1]octan-3-yl] ester IUPAC Name: [8-methyl-4-(trifluoromethylsulfonylmethyl)-8-azabicyclo[3.2.1]octan-3-yl] benzoate Traditional Name: benzoic acid [8-methyl-4-(triflylmethyl)-8-azabicyclo[3.2.1]octan-3-yl] ester Formula: C17H20F3NO4S MolecularWeight: 391.40521

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2CCC1C(C(C2)OC(=O)C3=CC=CC=C3)CS(=O)(=O)C(F)(F)F

Isomeric SMILES

CN1C2CCC1C(C(C2)OC(=O)C3=CC=CC=C3)CS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C17H20F3NO4S/c1-21-12-7-8-14(21)13(10-26(23,24)17(18,19)20)15(9-12)25-16(22)11-5-3-2-4-6-11/h2-6,12-15H,7-10H2,1H3