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CHEBI:97407 - 2-[(3R,6aR,8S,10aR)-1-(3-chlorophenyl)sulfonyl-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-piperidin-1-ylethanone

ChEBI IDCHEBI:97407
ChEBI Name2-[(3R,6aR,8S,10aR)-1-(3-chlorophenyl)sulfonyl-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-piperidin-1-ylethanone
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DownloadsMolfile
FormulaC22H31ClN2O6S
Net Charge0
Average Mass487.018
Monoisotopic Mass486.15914
SMILESO=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2S(=O)(=O)c2cccc(Cl)c2)O1)N1CCCCC1
InChIInChI=1S/C22H31ClN2O6S/c23-16-5-4-6-19(11-16)32(28,29)25-13-17(26)14-30-15-21-20(25)8-7-18(31-21)12-22(27)24-9-2-1-3-10-24/h4-6,11,17-18,20-21,26H,1-3,7-10,12-15H2/t17-,18+,20-,21+/m1/s1
InChIKeyWUWHFUUUQPRUMO-JYRKZWEQSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(3R,6aR,8S,10aR)-1-(3-chlorophenyl)sulfonyl-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-piperidin-1-ylethanone (CHEBI:97407) is a sulfonamide (CHEBI:35358)
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