EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:228730 - N-(2-methyl-5-nitrophenyl)-N-(methylsulfonyl)methanesulfonamide

ChEBI IDCHEBI:228730
ChEBI NameN-(2-methyl-5-nitrophenyl)-N-(methylsulfonyl)methanesulfonamide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H12N2O6S2
Net Charge0
Average Mass308.337
Monoisotopic Mass308.01368
SMILESCc1ccc([N+](=O)[O-])cc1N(S(C)(=O)=O)S(C)(=O)=O
InChIInChI=1S/C9H12N2O6S2/c1-7-4-5-8(10(12)13)6-9(7)11(18(2,14)15)19(3,16)17/h4-6H,1-3H3
InChIKeyAANYHLKFVXTOAC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS8662)
ChEBI Ontology
Outgoing Relation(s)
N-(2-methyl-5-nitrophenyl)-N-(methylsulfonyl)methanesulfonamide (CHEBI:228730) is a sulfonamide (CHEBI:35358)
IUPAC Name 
N-(2-methyl-5-nitrophenyl)-N-methylsulonylmethanesulonamide
Manual XrefsDatabases
2075523ChemSpider