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CHEBI:99721 - N-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-(4-morpholinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]benzenesulfonamide

ChEBI IDCHEBI:99721
ChEBI NameN-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-(4-morpholinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]benzenesulfonamide
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DownloadsMolfile
FormulaC24H28N2O7S
Net Charge0
Average Mass488.562
Monoisotopic Mass488.16172
SMILESO=C(C[C@@H]1C[C@H]2c3cc(NS(=O)(=O)c4ccccc4)ccc3O[C@H]2[C@@H](CO)O1)N1CCOCC1
InChIInChI=1S/C24H28N2O7S/c27-15-22-24-20(13-17(32-22)14-23(28)26-8-10-31-11-9-26)19-12-16(6-7-21(19)33-24)25-34(29,30)18-4-2-1-3-5-18/h1-7,12,17,20,22,24-25,27H,8-11,13-15H2/t17-,20-,22+,24+/m0/s1
InChIKeyCJNJMLGGDUQPOS-HYWXBTQMSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-(4-morpholinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]benzenesulfonamide (CHEBI:99721) is a sulfonamide (CHEBI:35358)
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