EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:129317 - (1S,5R)-7-[4-(4-methylphenyl)phenyl]-6-(4-methylphenyl)sulfonyl-3,6-diazabicyclo[3.1.1]heptane

ChEBI IDCHEBI:129317
ChEBI Name(1S,5R)-7-[4-(4-methylphenyl)phenyl]-6-(4-methylphenyl)sulfonyl-3,6-diazabicyclo[3.1.1]heptane
Stars
DownloadsMolfile
FormulaC25H26N2O2S
Net Charge0
Average Mass418.562
Monoisotopic Mass418.17150
SMILESCc1ccc(-c2ccc(C3[C@H]4CNC[C@@H]3N4S(=O)(=O)c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C25H26N2O2S/c1-17-3-7-19(8-4-17)20-9-11-21(12-10-20)25-23-15-26-16-24(25)27(23)30(28,29)22-13-5-18(2)6-14-22/h3-14,23-26H,15-16H2,1-2H3/t23-,24+,25?
InChIKeyOPHGZUCHEMWURQ-XMGLRAKGSA-N
ChEBI Ontology
Outgoing Relation(s)
(1S,5R)-7-[4-(4-methylphenyl)phenyl]-6-(4-methylphenyl)sulfonyl-3,6-diazabicyclo[3.1.1]heptane (CHEBI:129317) is a sulfonamide (CHEBI:35358)
Manual XrefsDatabases
LSM-40868LINCS