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CHEBI:110297 - 2-[(1R,3S,4aS,9aR)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide

ChEBI IDCHEBI:110297
ChEBI Name2-[(1R,3S,4aS,9aR)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
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DownloadsMolfile
FormulaC22H26N2O6S
Net Charge0
Average Mass446.525
Monoisotopic Mass446.15116
SMILESCN(C)C(=O)C[C@@H]1C[C@H]2c3cc(NS(=O)(=O)c4ccccc4)ccc3O[C@H]2[C@@H](CO)O1
InChIInChI=1S/C22H26N2O6S/c1-24(2)21(26)12-15-11-18-17-10-14(23-31(27,28)16-6-4-3-5-7-16)8-9-19(17)30-22(18)20(13-25)29-15/h3-10,15,18,20,22-23,25H,11-13H2,1-2H3/t15-,18-,20+,22+/m0/s1
InChIKeyFIBNIYVZMCRVDE-FZDNCAFZSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1R,3S,4aS,9aR)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide (CHEBI:110297) is a sulfonamide (CHEBI:35358)
Manual XrefsDatabases
LSM-21746LINCS