EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:97864 - 2-[(1R,3R,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-cyclohexylacetamide

ChEBI IDCHEBI:97864
ChEBI Name2-[(1R,3R,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-cyclohexylacetamide
Stars
DownloadsMolfile
FormulaC26H31FN2O6S
Net Charge0
Average Mass518.607
Monoisotopic Mass518.18869
SMILESO=C(C[C@H]1C[C@@H]2c3cc(NS(=O)(=O)c4ccc(F)cc4)ccc3O[C@@H]2[C@@H](CO)O1)NC1CCCCC1
InChIInChI=1S/C26H31FN2O6S/c27-16-6-9-20(10-7-16)36(32,33)29-18-8-11-23-21(12-18)22-13-19(34-24(15-30)26(22)35-23)14-25(31)28-17-4-2-1-3-5-17/h6-12,17,19,22,24,26,29-30H,1-5,13-15H2,(H,28,31)/t19-,22-,24-,26+/m1/s1
InChIKeySGAJFFANPLXWDT-DBSKKGOSSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1R,3R,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-cyclohexylacetamide (CHEBI:97864) is a sulfonamide (CHEBI:35358)
Manual XrefsDatabases
LSM-9243LINCS