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

Systemtic Name: 2-phenoxyethyl 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate Openeye Name: 2-phenoxyethyl 4-[[(3R,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[(3R,5R)-3,5-dimethyl-1-piperidinyl]sulfonyl]benzoic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 4-[(3R,5R)-3,5-dimethylpiperidino]sulfonylbenzoic acid 2-phenoxyethyl ester Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCCOC3=CC=CC=C3)C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCCOC3=CC=CC=C3)C

InChI

InChI=1S/C22H27NO5S/c1-17-14-18(2)16-23(15-17)29(25,26)21-10-8-19(9-11-21)22(24)28-13-12-27-20-6-4-3-5-7-20/h3-11,17-18H,12-16H2,1-2H3/t17-,18-/m1/s1