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CHEBI:100996 - 2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2,5-difluorophenyl)methyl]acetamide

ChEBI IDCHEBI:100996
ChEBI Name2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2,5-difluorophenyl)methyl]acetamide
Stars
DownloadsMolfile
FormulaC22H24F2N2O6S
Net Charge0
Average Mass482.505
Monoisotopic Mass482.13231
SMILESCS(=O)(=O)Nc1ccc2c(c1)[C@H]1C[C@@H](CC(=O)NCc3cc(F)ccc3F)O[C@@H](CO)[C@H]1O2
InChIInChI=1S/C22H24F2N2O6S/c1-33(29,30)26-14-3-5-19-16(7-14)17-8-15(31-20(11-27)22(17)32-19)9-21(28)25-10-12-6-13(23)2-4-18(12)24/h2-7,15,17,20,22,26-27H,8-11H2,1H3,(H,25,28)/t15-,17+,20-,22-/m0/s1
InChIKeyIELDZLYSVNRCSJ-XFSCSUFISA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2,5-difluorophenyl)methyl]acetamide (CHEBI:100996) is a sulfonamide (CHEBI:35358)
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