EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:119785 - 2-(2-chlorophenyl)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]-4-quinolinecarboxamide

ChEBI IDCHEBI:119785
ChEBI Name2-(2-chlorophenyl)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]-4-quinolinecarboxamide
Stars
DownloadsMolfile
FormulaC28H25ClN4O3S
Net Charge0
Average Mass533.053
Monoisotopic Mass532.13359
SMILESO=C(Nc1cccc(S(=O)(=O)NC2=NCCCCC2)c1)c1cc(-c2ccccc2Cl)nc2ccccc12
InChIInChI=1S/C28H25ClN4O3S/c29-24-13-5-3-12-22(24)26-18-23(21-11-4-6-14-25(21)32-26)28(34)31-19-9-8-10-20(17-19)37(35,36)33-27-15-2-1-7-16-30-27/h3-6,8-14,17-18H,1-2,7,15-16H2,(H,30,33)(H,31,34)
InChIKeyHSFIJDNIFROEOJ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-(2-chlorophenyl)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]-4-quinolinecarboxamide (CHEBI:119785) is a quinolines (CHEBI:26513)
Manual XrefsDatabases
LSM-31229LINCS