EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:97716 - N-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-3-(2-morpholin-4-yl-2-oxoethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]benzenesulfonamide

ChEBI IDCHEBI:97716
ChEBI NameN-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-3-(2-morpholin-4-yl-2-oxoethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]benzenesulfonamide
Stars
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-LGCHTUQSSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-3-(2-morpholin-4-yl-2-oxoethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]benzenesulfonamide (CHEBI:97716) is a sulfonamide (CHEBI:35358)
Manual XrefsDatabases
LSM-9095LINCS