EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:98587 - (2R,3R,4S)-1-ethylsulfonyl-3-[4-(3-fluorophenyl)phenyl]-4-(hydroxymethyl)azetidine-2-carbonitrile

ChEBI IDCHEBI:98587
ChEBI Name(2R,3R,4S)-1-ethylsulfonyl-3-[4-(3-fluorophenyl)phenyl]-4-(hydroxymethyl)azetidine-2-carbonitrile
Stars
DownloadsMolfile
FormulaC19H19FN2O3S
Net Charge0
Average Mass374.437
Monoisotopic Mass374.11004
SMILESCCS(=O)(=O)N1[C@H](CO)[C@H](c2ccc(-c3cccc(F)c3)cc2)[C@@H]1C#N
InChIInChI=1S/C19H19FN2O3S/c1-2-26(24,25)22-17(11-21)19(18(22)12-23)14-8-6-13(7-9-14)15-4-3-5-16(20)10-15/h3-10,17-19,23H,2,12H2,1H3/t17-,18+,19+/m0/s1
InChIKeyFWARPLPHHGVTHJ-IPMKNSEASA-N
ChEBI Ontology
Outgoing Relation(s)
(2R,3R,4S)-1-ethylsulfonyl-3-[4-(3-fluorophenyl)phenyl]-4-(hydroxymethyl)azetidine-2-carbonitrile (CHEBI:98587) is a biphenyls (CHEBI:22888)
Manual XrefsDatabases
LSM-9966LINCS