CHEBI:117452 - 2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide

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ChEBI Name 2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
ChEBI ID CHEBI:117452
Stars This entity has been manually annotated by a third party.
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Formula C17H24N2O6S
Net Charge 0
Average Mass 384.449
Monoisotopic Mass 384.13551
InChI InChI=1S/C17H24N2O6S/c1-19(2)16(21)8-11-7-13-12-6-10(18-26(3,22)23)4-5-14(12)25-17(13)15(9-20)24-11/h4-6,11,13,15,17-18,20H,7-9H2,1-3H3/t11-,13-,15-,17+/m1/s1
InChIKey ILXKPNUBZXTBRO-MDRZDLKXSA-N
SMILES CN(C)C(=O)C[C@H]1C[C@H]2[C@@H]([C@H](O1)CO)OC3=C2C=C(C=C3)NS(=O)(=O)C
ChEBI Ontology
Outgoing 2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide (CHEBI:117452) is a sulfonamide (CHEBI:35358)
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