EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:100901 - 2-[(1R,3S,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[2-(1-piperidinyl)ethyl]acetamide

ChEBI IDCHEBI:100901
ChEBI Name2-[(1R,3S,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[2-(1-piperidinyl)ethyl]acetamide
Stars
DownloadsMolfile
FormulaC27H34FN3O6S
Net Charge0
Average Mass547.649
Monoisotopic Mass547.21524
SMILESO=C(C[C@@H]1C[C@@H]2c3cc(NS(=O)(=O)c4ccc(F)cc4)ccc3O[C@@H]2[C@@H](CO)O1)NCCN1CCCCC1
InChIInChI=1S/C27H34FN3O6S/c28-18-4-7-21(8-5-18)38(34,35)30-19-6-9-24-22(14-19)23-15-20(36-25(17-32)27(23)37-24)16-26(33)29-10-13-31-11-2-1-3-12-31/h4-9,14,20,23,25,27,30,32H,1-3,10-13,15-17H2,(H,29,33)/t20-,23+,25+,27-/m0/s1
InChIKeyPHBUKTREHITDBU-NOGZMFEUSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1R,3S,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[2-(1-piperidinyl)ethyl]acetamide (CHEBI:100901) is a sulfonamide (CHEBI:35358)
Manual XrefsDatabases
LSM-12275LINCS