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CHEBI:117316 - 2-[(1R,3R,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester

ChEBI IDCHEBI:117316
ChEBI Name2-[(1R,3R,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
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DownloadsMolfile
FormulaC21H22FNO7S
Net Charge0
Average Mass451.472
Monoisotopic Mass451.11010
SMILESCOC(=O)C[C@H]1C[C@@H]2c3cc(NS(=O)(=O)c4ccc(F)cc4)ccc3O[C@@H]2[C@@H](CO)O1
InChIInChI=1S/C21H22FNO7S/c1-28-20(25)10-14-9-17-16-8-13(4-7-18(16)30-21(17)19(11-24)29-14)23-31(26,27)15-5-2-12(22)3-6-15/h2-8,14,17,19,21,23-24H,9-11H2,1H3/t14-,17-,19-,21+/m1/s1
InChIKeyKRPAMDJISYPLOJ-QTRJSKNGSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1R,3R,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester (CHEBI:117316) is a sulfonamide (CHEBI:35358)
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