EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:98574 - 4-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-N-[(2S,3R)-3-methoxy-2-methyl-4-[methyl(1,3-thiazol-2-ylmethyl)amino]butyl]benzenesulfonamide

ChEBI IDCHEBI:98574
ChEBI Name4-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-N-[(2S,3R)-3-methoxy-2-methyl-4-[methyl(1,3-thiazol-2-ylmethyl)amino]butyl]benzenesulfonamide
Stars
DownloadsMolfile
FormulaC20H30FN3O4S2
Net Charge0
Average Mass459.609
Monoisotopic Mass459.16618
SMILESCO[C@@H](CN(C)Cc1nccs1)[C@@H](C)CN([C@H](C)CO)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C20H30FN3O4S2/c1-15(19(28-4)12-23(3)13-20-22-9-10-29-20)11-24(16(2)14-25)30(26,27)18-7-5-17(21)6-8-18/h5-10,15-16,19,25H,11-14H2,1-4H3/t15-,16+,19-/m0/s1
InChIKeyHDBUQVYPKWOJFH-FCEWJHQRSA-N
ChEBI Ontology
Outgoing Relation(s)
4-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-N-[(2S,3R)-3-methoxy-2-methyl-4-[methyl(1,3-thiazol-2-ylmethyl)amino]butyl]benzenesulfonamide (CHEBI:98574) is a sulfonamide (CHEBI:35358)
Manual XrefsDatabases
LSM-9953LINCS