EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:101394 - N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-[4-(3-pyridinyl)-1-triazolyl]ethyl]-3-oxanyl]-4-methylbenzenesulfonamide

ChEBI IDCHEBI:101394
ChEBI NameN-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-[4-(3-pyridinyl)-1-triazolyl]ethyl]-3-oxanyl]-4-methylbenzenesulfonamide
Stars
DownloadsMolfile
FormulaC22H27N5O4S
Net Charge0
Average Mass457.556
Monoisotopic Mass457.17838
SMILESCc1ccc(S(=O)(=O)N[C@@H]2CC[C@@H](CCn3cc(-c4cccnc4)nn3)O[C@H]2CO)cc1
InChIInChI=1S/C22H27N5O4S/c1-16-4-7-19(8-5-16)32(29,30)25-20-9-6-18(31-22(20)15-28)10-12-27-14-21(24-26-27)17-3-2-11-23-13-17/h2-5,7-8,11,13-14,18,20,22,25,28H,6,9-10,12,15H2,1H3/t18-,20+,22-/m0/s1
InChIKeyAGCDJJGGWAFKHW-DWLFOUALSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-[4-(3-pyridinyl)-1-triazolyl]ethyl]-3-oxanyl]-4-methylbenzenesulfonamide (CHEBI:101394) is a C-glycosyl compound (CHEBI:20857)
Manual XrefsDatabases
LSM-12757LINCS