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CHEBI:117332 - 2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2,2,2-trifluoroethyl)acetamide

ChEBI IDCHEBI:117332
ChEBI Name2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2,2,2-trifluoroethyl)acetamide
Stars
DownloadsMolfile
FormulaC23H25F3N2O7S
Net Charge0
Average Mass530.521
Monoisotopic Mass530.13346
SMILESCOc1cccc(S(=O)(=O)Nc2ccc3c(c2)[C@H]2C[C@@H](CC(=O)NCC(F)(F)F)O[C@@H](CO)[C@H]2O3)c1
InChIInChI=1S/C23H25F3N2O7S/c1-33-14-3-2-4-16(8-14)36(31,32)28-13-5-6-19-17(7-13)18-9-15(34-20(11-29)22(18)35-19)10-21(30)27-12-23(24,25)26/h2-8,15,18,20,22,28-29H,9-12H2,1H3,(H,27,30)/t15-,18+,20-,22-/m0/s1
InChIKeyMZKZWNSKYYIKNG-OPMXSGTGSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2,2,2-trifluoroethyl)acetamide (CHEBI:117332) is a sulfonamide (CHEBI:35358)
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