[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl] 3-methylsulfonylbenzoate

Systemtic Name: [2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl] 3-methylsulfonylbenzoate Openeye Name: [2-[(2S,6S)-2,6-dimethyl-1-piperidyl]-2-oxo-ethyl] 3-methylsulfonylbenzoate CAS Name: 3-methylsulfonylbenzoic acid [2-[(2S,6S)-2,6-dimethyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 3-methylsulfonylbenzoate Traditional Name: 3-mesylbenzoic acid [2-[(2S,6S)-2,6-dimethylpiperidino]-2-keto-ethyl] ester Formula: C17H23NO5S MolecularWeight: 353.43322

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)C)C

Isomeric SMILES

C[C@H]1CCC[C@@H](N1C(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)C)C

InChI

InChI=1S/C17H23NO5S/c1-12-6-4-7-13(2)18(12)16(19)11-23-17(20)14-8-5-9-15(10-14)24(3,21)22/h5,8-10,12-13H,4,6-7,11H2,1-3H3/t12-,13-/m0/s1