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CHEBI:110484 - 2-[(1S,3R,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide

ChEBI IDCHEBI:110484
ChEBI Name2-[(1S,3R,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide
Stars
DownloadsMolfile
FormulaC28H29FN2O7S
Net Charge0
Average Mass556.612
Monoisotopic Mass556.16795
SMILESCOc1ccc(CNC(=O)C[C@H]2C[C@@H]3c4cc(NS(=O)(=O)c5ccc(F)cc5)ccc4O[C@@H]3[C@H](CO)O2)cc1
InChIInChI=1S/C28H29FN2O7S/c1-36-20-7-2-17(3-8-20)15-30-27(33)14-21-13-24-23-12-19(6-11-25(23)38-28(24)26(16-32)37-21)31-39(34,35)22-9-4-18(29)5-10-22/h2-12,21,24,26,28,31-32H,13-16H2,1H3,(H,30,33)/t21-,24-,26+,28+/m1/s1
InChIKeySQCXDLWHKVIWRB-DZXBDMBVSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1S,3R,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide (CHEBI:110484) is a sulfonamide (CHEBI:35358)
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