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CHEBI:34732 - E-4031

ChEBI IDCHEBI:34732
ChEBI NameE-4031
Stars
Last Modified25 February 2016
DownloadsMolfile
FormulaC21H27N3O3S
Net Charge0
Average Mass401.532
Monoisotopic Mass401.17731
SMILESCc1cccc(CCN2CCC(C(=O)c3ccc(NS(C)(=O)=O)cc3)CC2)n1
InChIInChI=1S/C21H27N3O3S/c1-16-4-3-5-19(22-16)12-15-24-13-10-18(11-14-24)21(25)17-6-8-20(9-7-17)23-28(2,26)27/h3-9,18,23H,10-15H2,1-2H3
InChIKeySRUISGSHWFJION-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
E-4031 (CHEBI:34732) is a sulfonamide (CHEBI:35358)
Synonym  Source
E-4031KEGG COMPOUND
Manual XrefsDatabases
C13776KEGG COMPOUND
LSM-2928LINCS
Registry NumbersSources
CAS:113558-89-7KEGG COMPOUND