EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:99992 - 2-[(3S,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-(1-piperidinyl)ethanone

ChEBI IDCHEBI:99992
ChEBI Name2-[(3S,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-(1-piperidinyl)ethanone
Stars
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-/m0/s1
InChIKeyWUWHFUUUQPRUMO-MMKMLUHNSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(3S,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-(1-piperidinyl)ethanone (CHEBI:99992) is a sulfonamide (CHEBI:35358)
Manual XrefsDatabases
LSM-11371LINCS