CHEBI:109331 - 2-[(4-chlorophenyl)methylthio]-5-[3-(1-piperidinylsulfonyl)phenyl]-1,3,4-oxadiazole

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-[(4-chlorophenyl)methylthio]-5-[3-(1-piperidinylsulfonyl)phenyl]-1,3,4-oxadiazole
ChEBI ID CHEBI:109331
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C20H20ClN3O3S2
Net Charge 0
Average Mass 449.977
Monoisotopic Mass 449.06346
InChI InChI=1S/C20H20ClN3O3S2/c21-17-9-7-15(8-10-17)14-28-20-23-22-19(27-20)16-5-4-6-18(13-16)29(25,26)24-11-2-1-3-12-24/h4-10,13H,1-3,11-12,14H2
InChIKey MIOXIBMYFKDWGM-UHFFFAOYSA-N
SMILES C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=NN=C(O3)SCC4=CC=C(C=C4)Cl
ChEBI Ontology
Outgoing 2-[(4-chlorophenyl)methylthio]-5-[3-(1-piperidinylsulfonyl)phenyl]-1,3,4-oxadiazole (CHEBI:109331) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-20729 LINCS
View more database links