CHEBI:101383 - 2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2,5-difluorophenyl)methyl]acetamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2,5-difluorophenyl)methyl]acetamide
ChEBI ID CHEBI:101383
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C22H24F2N2O6S
Net Charge 0
Average Mass 482.499
Monoisotopic Mass 482.13231
InChI InChI=1S/C22H24F2N2O6S/c1-33(29,30)26-14-3-5-19-16(7-14)17-8-15(31-20(11-27)22(17)32-19)9-21(28)25-10-12-6-13(23)2-4-18(12)24/h2-7,15,17,20,22,26-27H,8-11H2,1H3,(H,25,28)/t15-,17+,20+,22-/m0/s1
InChIKey IELDZLYSVNRCSJ-QBLKZJFASA-N
SMILES CS(=O)(=O)NC1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@H](O[C@@H]3CO)CC(=O)NCC4=C(C=CC(=C4)F)F
ChEBI Ontology
Outgoing 2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2,5-difluorophenyl)methyl]acetamide (CHEBI:101383) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-12746 LINCS
View more database links