CHEBI:103099 - 2-[(3S,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

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ChEBI Name 2-[(3S,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 ID CHEBI:103099
Stars This entity has been manually annotated by a third party.
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Formula C22H34ClN3O6S
Net Charge 0
Average Mass 504.042
Monoisotopic Mass 503.18568
InChI InChI=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-/m0/s1
InChIKey NJKGITFUOGWCFU-MMKMLUHNSA-N
SMILES CN(C)CCCNC(=O)C[C@@H]1CC[C@@H]2[C@@H](O1)COC[C@H](CN2S(=O)(=O)C3=CC=C(C=C3)Cl)O
ChEBI Ontology
Outgoing 2-[(3S,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:103099) is a sulfonamide (CHEBI:35358)
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