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CHEBI:117563 - 2-[(1S,3R,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(3-fluorophenyl)methyl]acetamide

ChEBI IDCHEBI:117563
ChEBI Name2-[(1S,3R,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(3-fluorophenyl)methyl]acetamide
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DownloadsMolfile
FormulaC27H26F2N2O6S
Net Charge0
Average Mass544.576
Monoisotopic Mass544.14796
SMILESO=C(C[C@H]1C[C@H]2c3cc(NS(=O)(=O)c4ccc(F)cc4)ccc3O[C@H]2[C@H](CO)O1)NCc1cccc(F)c1
InChIInChI=1S/C27H26F2N2O6S/c28-17-4-7-21(8-5-17)38(34,35)31-19-6-9-24-22(11-19)23-12-20(36-25(15-32)27(23)37-24)13-26(33)30-14-16-2-1-3-18(29)10-16/h1-11,20,23,25,27,31-32H,12-15H2,(H,30,33)/t20-,23+,25+,27-/m1/s1
InChIKeyIOAZXSSJEHBWSP-DJOAJLSESA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1S,3R,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(3-fluorophenyl)methyl]acetamide (CHEBI:117563) is a sulfonamide (CHEBI:35358)
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