CHEBI:228395 - 2-[4-(methylsulfonimidoyl)phenoxy]-5-nitropyridine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 2-[4-(methylsulfonimidoyl)phenoxy]-5-nitropyridine
ChEBI ID CHEBI:228395
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C12H11N3O4S
Net Charge 0
Average Mass 293.300
Monoisotopic Mass 293.04703
InChI InChI=1S/C12H11N3O4S/c1-20(13,18)11-5-3-10(4-6-11)19-12-7-2-9(8-14-12)15(16)17/h2-8,13H,1H3
InChIKey CEPCEXBIGBAUEQ-UHFFFAOYSA-N
SMILES S(=O)(=N)(C1=CC=C(OC2=NC=C([N+]([O-])=O)C=C2)C=C1)C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: MetaboLights Study
ChEBI Ontology
Outgoing 2-[4-(methylsulfonimidoyl)phenoxy]-5-nitropyridine (CHEBI:228395) is a aromatic ether (CHEBI:35618)
IUPAC Name
imino-methyl-[4-(5-nitropyridin-2-yl)oxyphenyl]-oxo-lambda6-sulane
Manual Xref Database
535045 ChemSpider
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