EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:100878 - N-[2-[(2S,5S,6S)-6-(hydroxymethyl)-5-[(2-methylphenyl)sulfonylamino]-2-oxanyl]ethyl]-2-methylbenzenesulfonamide

ChEBI IDCHEBI:100878
ChEBI NameN-[2-[(2S,5S,6S)-6-(hydroxymethyl)-5-[(2-methylphenyl)sulfonylamino]-2-oxanyl]ethyl]-2-methylbenzenesulfonamide
Stars
DownloadsMolfile
FormulaC22H30N2O6S2
Net Charge0
Average Mass482.624
Monoisotopic Mass482.15453
SMILESCc1ccccc1S(=O)(=O)NCC[C@@H]1CC[C@H](NS(=O)(=O)c2ccccc2C)[C@@H](CO)O1
InChIInChI=1S/C22H30N2O6S2/c1-16-7-3-5-9-21(16)31(26,27)23-14-13-18-11-12-19(20(15-25)30-18)24-32(28,29)22-10-6-4-8-17(22)2/h3-10,18-20,23-25H,11-15H2,1-2H3/t18-,19-,20+/m0/s1
InChIKeyNMMAJMJUDCVZMW-SLFFLAALSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[2-[(2S,5S,6S)-6-(hydroxymethyl)-5-[(2-methylphenyl)sulfonylamino]-2-oxanyl]ethyl]-2-methylbenzenesulfonamide (CHEBI:100878) is a C-glycosyl compound (CHEBI:20857)
Manual XrefsDatabases
LSM-12252LINCS