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CHEBI:97294 - 2-[(1S,3S,4aR,9aS)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-(2,2,2-trifluoroethyl)acetamide

ChEBI IDCHEBI:97294
ChEBI Name2-[(1S,3S,4aR,9aS)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-(2,2,2-trifluoroethyl)acetamide
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DownloadsMolfile
FormulaC22H23F3N2O6S
Net Charge0
Average Mass500.495
Monoisotopic Mass500.12289
SMILESO=C(C[C@@H]1C[C@@H]2c3cc(NS(=O)(=O)c4ccccc4)ccc3O[C@@H]2[C@H](CO)O1)NCC(F)(F)F
InChIInChI=1S/C22H23F3N2O6S/c23-22(24,25)12-26-20(29)10-14-9-17-16-8-13(27-34(30,31)15-4-2-1-3-5-15)6-7-18(16)33-21(17)19(11-28)32-14/h1-8,14,17,19,21,27-28H,9-12H2,(H,26,29)/t14-,17+,19-,21-/m0/s1
InChIKeyAWBUKOBMSNOSJG-TVLKCDEOSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1S,3S,4aR,9aS)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-(2,2,2-trifluoroethyl)acetamide (CHEBI:97294) is a sulfonamide (CHEBI:35358)
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