[(1R)-2-oxidanylidenecyclohexyl] 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate

Systemtic Name: [(1R)-2-oxidanylidenecyclohexyl] 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate Openeye Name: [(1R)-2-oxocyclohexyl] 4-[[(3R,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[(3R,5R)-3,5-dimethyl-1-piperidinyl]sulfonyl]benzoic acid [(1R)-2-oxocyclohexyl] ester IUPAC Name: [(1R)-2-oxocyclohexyl] 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 4-[(3R,5R)-3,5-dimethylpiperidino]sulfonylbenzoic acid [(1R)-2-ketocyclohexyl] ester Formula: C20H27NO5S MolecularWeight: 393.49708

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC3CCCCC3=O)C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)O[C@@H]3CCCCC3=O)C

InChI

InChI=1S/C20H27NO5S/c1-14-11-15(2)13-21(12-14)27(24,25)17-9-7-16(8-10-17)20(23)26-19-6-4-3-5-18(19)22/h7-10,14-15,19H,3-6,11-13H2,1-2H3/t14-,15-,19-/m1/s1