(2-morpholin-4-yl-2-oxidanylidene-ethyl) 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate

Systemtic Name: (2-morpholin-4-yl-2-oxidanylidene-ethyl) 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate Openeye Name: (2-morpholino-2-oxo-ethyl) 4-[[(3R,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[(3R,5R)-3,5-dimethyl-1-piperidinyl]sulfonyl]benzoic acid [2-(4-morpholinyl)-2-oxoethyl] ester IUPAC Name: (2-morpholin-4-yl-2-oxoethyl) 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 4-[(3R,5R)-3,5-dimethylpiperidino]sulfonylbenzoic acid (2-keto-2-morpholino-ethyl) ester Formula: C20H28N2O6S MolecularWeight: 424.51112

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)N3CCOCC3)C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)N3CCOCC3)C

InChI

InChI=1S/C20H28N2O6S/c1-15-11-16(2)13-22(12-15)29(25,26)18-5-3-17(4-6-18)20(24)28-14-19(23)21-7-9-27-10-8-21/h3-6,15-16H,7-14H2,1-2H3/t15-,16-/m1/s1