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CHEBI:97419 - 2-[(1R,3S,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide

ChEBI IDCHEBI:97419
ChEBI Name2-[(1R,3S,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide
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DownloadsMolfile
FormulaC28H29FN2O7S
Net Charge0
Average Mass556.612
Monoisotopic Mass556.16795
SMILESCOc1ccccc1CNC(=O)C[C@@H]1C[C@@H]2c3cc(NS(=O)(=O)c4ccc(F)cc4)ccc3O[C@@H]2[C@@H](CO)O1
InChIInChI=1S/C28H29FN2O7S/c1-36-24-5-3-2-4-17(24)15-30-27(33)14-20-13-23-22-12-19(8-11-25(22)38-28(23)26(16-32)37-20)31-39(34,35)21-9-6-18(29)7-10-21/h2-12,20,23,26,28,31-32H,13-16H2,1H3,(H,30,33)/t20-,23+,26+,28-/m0/s1
InChIKeyCRNISVWSFUFTQR-NZIYMESCSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1R,3S,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide (CHEBI:97419) is a sulfonamide (CHEBI:35358)
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