EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:118969 - 4-fluoro-N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]benzenesulfonamide

ChEBI IDCHEBI:118969
ChEBI Name4-fluoro-N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]benzenesulfonamide
Stars
DownloadsMolfile
FormulaC24H28FN3O5S
Net Charge0
Average Mass489.569
Monoisotopic Mass489.17337
SMILESO=C(C[C@H]1C=C[C@H](NS(=O)(=O)c2ccc(F)cc2)[C@@H](CO)O1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H28FN3O5S/c25-18-6-9-21(10-7-18)34(31,32)26-22-11-8-20(33-23(22)17-29)16-24(30)28-14-12-27(13-15-28)19-4-2-1-3-5-19/h1-11,20,22-23,26,29H,12-17H2/t20-,22+,23-/m1/s1
InChIKeyRXWWLGBTGKBRLQ-AKIFATBCSA-N
ChEBI Ontology
Outgoing Relation(s)
4-fluoro-N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]benzenesulfonamide (CHEBI:118969) is a piperazines (CHEBI:26144)
Manual XrefsDatabases
LSM-30418LINCS