CHEBI:110471 - 2-[(1R,3R,4aR,9aS)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-[(1R,3R,4aR,9aS)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
ChEBI ID CHEBI:110471
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C22H26N2O6S
Net Charge 0
Average Mass 446.519
Monoisotopic Mass 446.15116
InChI InChI=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+/m1/s1
InChIKey FIBNIYVZMCRVDE-HBPKQZLHSA-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)C4=CC=CC=C4
ChEBI Ontology
Outgoing 2-[(1R,3R,4aR,9aS)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide (CHEBI:110471) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-21918 LINCS
View more database links