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

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 N-(2-methyl-5-nitrophenyl)-N-(methylsulfonyl)methanesulfonamide
ChEBI ID CHEBI:228730
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C9H12N2O6S2
Net Charge 0
Average Mass 308.320
Monoisotopic Mass 308.01368
InChI InChI=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
InChIKey AANYHLKFVXTOAC-UHFFFAOYSA-N
SMILES S(=O)(=O)(N(S(=O)(=O)C)C1=C(C=CC([N+]([O-])=O)=C1)C)C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xref Database
2075523 ChemSpider
View more database links