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CHEBI:99430 - 2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide

ChEBI IDCHEBI:99430
ChEBI Name2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide
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DownloadsMolfile
FormulaC22H25ClN2O6S
Net Charge0
Average Mass480.970
Monoisotopic Mass480.11219
SMILESCS(=O)(=O)Nc1ccc2c(c1)[C@H]1C[C@H](CC(=O)NCc3ccc(Cl)cc3)O[C@@H](CO)[C@H]1O2
InChIInChI=1S/C22H25ClN2O6S/c1-32(28,29)25-15-6-7-19-17(8-15)18-9-16(30-20(12-26)22(18)31-19)10-21(27)24-11-13-2-4-14(23)5-3-13/h2-8,16,18,20,22,25-26H,9-12H2,1H3,(H,24,27)/t16-,18-,20+,22+/m1/s1
InChIKeyLWPDCVYPXSZOFH-MDRHQERFSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide (CHEBI:99430) is a sulfonamide (CHEBI:35358)
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