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

Systemtic Name: phenacyl 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate Openeye Name: phenacyl 4-[[(3R,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[(3R,5R)-3,5-dimethyl-1-piperidinyl]sulfonyl]benzoic acid phenacyl ester IUPAC Name: phenacyl 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 4-[(3R,5R)-3,5-dimethylpiperidino]sulfonylbenzoic acid phenacyl ester Formula: C22H25NO5S MolecularWeight: 415.5026

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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)C3=CC=CC=C3)C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C22H25NO5S/c1-16-12-17(2)14-23(13-16)29(26,27)20-10-8-19(9-11-20)22(25)28-15-21(24)18-6-4-3-5-7-18/h3-11,16-17H,12-15H2,1-2H3/t16-,17-/m1/s1