CHEBI:117051 - [4-(3-chlorophenyl)sulfonyl-3-nitrophenyl]-[4-(2-pyridinyl)-1-piperazinyl]methanone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name [4-(3-chlorophenyl)sulfonyl-3-nitrophenyl]-[4-(2-pyridinyl)-1-piperazinyl]methanone
ChEBI ID CHEBI:117051
Stars This entity has been manually annotated by a third party.
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Formula C22H19ClN4O5S
Net Charge 0
Average Mass 486.930
Monoisotopic Mass 486.07647
InChI InChI=1S/C22H19ClN4O5S/c23-17-4-3-5-18(15-17)33(31,32)20-8-7-16(14-19(20)27(29)30)22(28)26-12-10-25(11-13-26)21-6-1-2-9-24-21/h1-9,14-15H,10-13H2
InChIKey QDXGUEAORKHSFK-UHFFFAOYSA-N
SMILES C1CN(CCN1C2=CC=CC=N2)C(=O)C3=CC(=C(C=C3)S(=O)(=O)C4=CC(=CC=C4)Cl)[N+](=O)[O-]
ChEBI Ontology
Outgoing [4-(3-chlorophenyl)sulfonyl-3-nitrophenyl]-[4-(2-pyridinyl)-1-piperazinyl]methanone (CHEBI:117051) is a piperazines (CHEBI:26144)
[4-(3-chlorophenyl)sulfonyl-3-nitrophenyl]-[4-(2-pyridinyl)-1-piperazinyl]methanone (CHEBI:117051) is a pyridines (CHEBI:26421)
Manual Xref Database
LSM-28498 LINCS
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