CHEBI:101131 - 2-[(1R,3R,4aR,9aS)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2,2,2-trifluoroethyl)acetamide

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ChEBI Name 2-[(1R,3R,4aR,9aS)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2,2,2-trifluoroethyl)acetamide
ChEBI ID CHEBI:101131
Stars This entity has been manually annotated by a third party.
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Formula C22H23F3N2O6S
Net Charge 0
Average Mass 500.490
Monoisotopic Mass 500.12289
InChI InChI=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+/m1/s1
InChIKey AWBUKOBMSNOSJG-QTRJSKNGSA-N
SMILES C1[C@@H](O[C@@H]([C@@H]2[C@H]1C3=C(O2)C=CC(=C3)NS(=O)(=O)C4=CC=CC=C4)CO)CC(=O)NCC(F)(F)F
ChEBI Ontology
Outgoing 2-[(1R,3R,4aR,9aS)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2,2,2-trifluoroethyl)acetamide (CHEBI:101131) is a sulfonamide (CHEBI:35358)
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