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CHEBI:101832 - 2-[(3R,6aR,8S,10aR)-1-(4-chlorophenyl)sulfonyl-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[3-(dimethylamino)propyl]acetamide

ChEBI IDCHEBI:101832
ChEBI Name2-[(3R,6aR,8S,10aR)-1-(4-chlorophenyl)sulfonyl-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[3-(dimethylamino)propyl]acetamide
Stars
DownloadsMolfile
FormulaC22H34ClN3O6S
Net Charge0
Average Mass504.049
Monoisotopic Mass503.18568
SMILESCN(C)CCCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)O1
InChIInChI=1S/C22H34ClN3O6S/c1-25(2)11-3-10-24-22(28)12-18-6-9-20-21(32-18)15-31-14-17(27)13-26(20)33(29,30)19-7-4-16(23)5-8-19/h4-5,7-8,17-18,20-21,27H,3,6,9-15H2,1-2H3,(H,24,28)/t17-,18+,20-,21+/m1/s1
InChIKeyNJKGITFUOGWCFU-JYRKZWEQSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(3R,6aR,8S,10aR)-1-(4-chlorophenyl)sulfonyl-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[3-(dimethylamino)propyl]acetamide (CHEBI:101832) is a sulfonamide (CHEBI:35358)
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