[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl] 2-ethylsulfonylbenzoate

Systemtic Name: [2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl] 2-ethylsulfonylbenzoate Openeye Name: [2-[(3R,5R)-3,5-dimethyl-1-piperidyl]-2-oxo-ethyl] 2-ethylsulfonylbenzoate CAS Name: 2-ethylsulfonylbenzoic acid [2-[(3R,5R)-3,5-dimethyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2-ethylsulfonylbenzoate Traditional Name: 2-esylbenzoic acid [2-[(3R,5R)-3,5-dimethylpiperidino]-2-keto-ethyl] ester Formula: C18H25NO5S MolecularWeight: 367.4598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=CC=C1C(=O)OCC(=O)N2CC(CC(C2)C)C

Isomeric SMILES

CCS(=O)(=O)C1=CC=CC=C1C(=O)OCC(=O)N2C[C@@H](C[C@H](C2)C)C

InChI

InChI=1S/C18H25NO5S/c1-4-25(22,23)16-8-6-5-7-15(16)18(21)24-12-17(20)19-10-13(2)9-14(3)11-19/h5-8,13-14H,4,9-12H2,1-3H3/t13-,14-/m1/s1