1-[3-(3,4-dichlorophenyl)-1-(2,2-dimethylpropanoyl)piperidin-3-yl]ethyl methanesulfonate

Systemtic Name: 1-[3-(3,4-dichlorophenyl)-1-(2,2-dimethylpropanoyl)piperidin-3-yl]ethyl methanesulfonate Openeye Name: 1-[3-(3,4-dichlorophenyl)-1-(2,2-dimethylpropanoyl)-3-piperidyl]ethyl methanesulfonate CAS Name: methanesulfonic acid 1-[3-(3,4-dichlorophenyl)-1-(2,2-dimethyl-1-oxopropyl)-3-piperidinyl]ethyl ester IUPAC Name: 1-[3-(3,4-dichlorophenyl)-1-(2,2-dimethylpropanoyl)piperidin-3-yl]ethyl methanesulfonate Traditional Name: methanesulfonic acid 1-[3-(3,4-dichlorophenyl)-1-pivaloyl-3-piperidyl]ethyl ester Formula: C19H27Cl2NO4S MolecularWeight: 436.39298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1(CCCN(C1)C(=O)C(C)(C)C)C2=CC(=C(C=C2)Cl)Cl)OS(=O)(=O)C

Isomeric SMILES

CC(C1(CCCN(C1)C(=O)C(C)(C)C)C2=CC(=C(C=C2)Cl)Cl)OS(=O)(=O)C

InChI

InChI=1S/C19H27Cl2NO4S/c1-13(26-27(5,24)25)19(14-7-8-15(20)16(21)11-14)9-6-10-22(12-19)17(23)18(2,3)4/h7-8,11,13H,6,9-10,12H2,1-5H3