EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:128786 - 4-[(3aS,4R,9bS)-4-(hydroxymethyl)-1-(2-methoxyphenyl)sulfonyl-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-8-yl]benzonitrile

ChEBI IDCHEBI:128786
ChEBI Name4-[(3aS,4R,9bS)-4-(hydroxymethyl)-1-(2-methoxyphenyl)sulfonyl-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-8-yl]benzonitrile
Stars
DownloadsMolfile
FormulaC26H25N3O4S
Net Charge0
Average Mass475.570
Monoisotopic Mass475.15658
SMILESCOc1ccccc1S(=O)(=O)N1CC[C@H]2[C@H](CO)Nc3ccc(-c4ccc(C#N)cc4)cc3[C@H]21
InChIInChI=1S/C26H25N3O4S/c1-33-24-4-2-3-5-25(24)34(31,32)29-13-12-20-23(16-30)28-22-11-10-19(14-21(22)26(20)29)18-8-6-17(15-27)7-9-18/h2-11,14,20,23,26,28,30H,12-13,16H2,1H3/t20-,23-,26-/m0/s1
InChIKeyCNSZSOIIGAOJAV-CHZKFRDHSA-N
ChEBI Ontology
Outgoing Relation(s)
4-[(3aS,4R,9bS)-4-(hydroxymethyl)-1-(2-methoxyphenyl)sulfonyl-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-8-yl]benzonitrile (CHEBI:128786) is a quinolines (CHEBI:26513)
Manual XrefsDatabases
LSM-40338LINCS