CHEBI:108536 - 7-chloro-4-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]quinoline

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 7-chloro-4-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]quinoline
ChEBI ID CHEBI:108536
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C21H22ClN3O2S
Net Charge 0
Average Mass 415.938
Monoisotopic Mass 415.11213
InChI InChI=1S/C21H22ClN3O2S/c1-15-3-5-18(13-16(15)2)28(26,27)25-11-9-24(10-12-25)21-7-8-23-20-14-17(22)4-6-19(20)21/h3-8,13-14H,9-12H2,1-2H3
InChIKey FLHDNJGEUVKNGX-UHFFFAOYSA-N
SMILES CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C4C=CC(=CC4=NC=C3)Cl)C
ChEBI Ontology
Outgoing 7-chloro-4-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]quinoline (CHEBI:108536) is a piperazines (CHEBI:26144)
7-chloro-4-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]quinoline (CHEBI:108536) is a pyridines (CHEBI:26421)
Manual Xref Database
LSM-19910 LINCS
View more database links