EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:123113 - 2-[(1S,3S,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide

ChEBI IDCHEBI:123113
ChEBI Name2-[(1S,3S,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide
Stars
DownloadsMolfile
FormulaC23H27FN2O6S
Net Charge0
Average Mass478.542
Monoisotopic Mass478.15739
SMILESCCCNC(=O)C[C@@H]1C[C@H]2c3cc(NS(=O)(=O)c4ccc(F)cc4)ccc3O[C@H]2[C@H](CO)O1
InChIInChI=1S/C23H27FN2O6S/c1-2-9-25-22(28)12-16-11-19-18-10-15(5-8-20(18)32-23(19)21(13-27)31-16)26-33(29,30)17-6-3-14(24)4-7-17/h3-8,10,16,19,21,23,26-27H,2,9,11-13H2,1H3,(H,25,28)/t16-,19-,21-,23+/m0/s1
InChIKeyXRZWMSINEDMJNA-RAQQXGOJSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1S,3S,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide (CHEBI:123113) is a sulfonamide (CHEBI:35358)
Manual XrefsDatabases
LSM-34556LINCS