CHEBI:34732 - E-4031

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name E-4031
ChEBI ID CHEBI:34732
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formulae C21H27N3O3S
C21H27N3O3S
Net Charge 0
Average Mass 401.524
Monoisotopic Mass 401.177
InChI InChI=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
InChIKey SRUISGSHWFJION-UHFFFAOYSA-N
SMILES Cc1cccc(CCN2CCC(CC2)C(=O)c2ccc(NS(C)(=O)=O)cc2)n1
ChEBI Ontology
Outgoing E-4031 (CHEBI:34732) is a sulfonamide (CHEBI:35358)
Synonym Source
E-4031 KEGG COMPOUND
Manual Xrefs Databases
C13776 KEGG COMPOUND
LSM-2928 LINCS
View more database links
Registry Number Type Source
113558-89-7 CAS Registry Number KEGG COMPOUND
Last Modified
25 February 2016