EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:122400 - N-[(2R,3R,6S)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-4-chlorobenzenesulfonamide

ChEBI IDCHEBI:122400
ChEBI NameN-[(2R,3R,6S)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-4-chlorobenzenesulfonamide
Stars
DownloadsMolfile
FormulaC14H21ClN2O4S
Net Charge0
Average Mass348.852
Monoisotopic Mass348.09106
SMILESNCC[C@@H]1CC[C@@H](NS(=O)(=O)c2ccc(Cl)cc2)[C@H](CO)O1
InChIInChI=1S/C14H21ClN2O4S/c15-10-1-4-12(5-2-10)22(19,20)17-13-6-3-11(7-8-16)21-14(13)9-18/h1-2,4-5,11,13-14,17-18H,3,6-9,16H2/t11-,13+,14-/m0/s1
InChIKeyKZMUEAIOUSMXHL-YUTCNCBUSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3R,6S)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-4-chlorobenzenesulfonamide (CHEBI:122400) is a C-glycosyl compound (CHEBI:20857)
Manual XrefsDatabases
LSM-33843LINCS