EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:118774 - N-[(2R,3R,6R)-6-[2-[4-[(dimethylamino)methyl]-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-4-phenylbenzenesulfonamide

ChEBI IDCHEBI:118774
ChEBI NameN-[(2R,3R,6R)-6-[2-[4-[(dimethylamino)methyl]-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-4-phenylbenzenesulfonamide
Stars
DownloadsMolfile
FormulaC25H33N5O4S
Net Charge0
Average Mass499.637
Monoisotopic Mass499.22533
SMILESCN(C)Cc1cn(CC[C@H]2CC[C@@H](NS(=O)(=O)c3ccc(-c4ccccc4)cc3)[C@H](CO)O2)nn1
InChIInChI=1S/C25H33N5O4S/c1-29(2)16-21-17-30(28-26-21)15-14-22-10-13-24(25(18-31)34-22)27-35(32,33)23-11-8-20(9-12-23)19-6-4-3-5-7-19/h3-9,11-12,17,22,24-25,27,31H,10,13-16,18H2,1-2H3/t22-,24-,25+/m1/s1
InChIKeyDSJATXUDYPTXRQ-GPXOXTDOSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3R,6R)-6-[2-[4-[(dimethylamino)methyl]-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-4-phenylbenzenesulfonamide (CHEBI:118774) is a biphenyls (CHEBI:22888)
Manual XrefsDatabases
LSM-30223LINCS