Compound Identification
SMILES
CC1=NC(CS(=O)(=O)C2=CC=C(C)C=C2)=C(N1CCO)[N+]([O-])=O
InChIKey
InChIKey=BTYSWSMFPDXQIQ-UHFFFAOYSA-N
Formula
C14H17N3O5S
Mass
339.37
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Toluenes
- Level 5 Tosyl compounds
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Subclass
Toluenes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Toluenes
Intermediate Tree Nodes
Not available
Direct Parent
Tosyl compounds
Alternative Parents
1,2,4,5-tetrasubstituted imidazoles Benzenesulfonyl compounds Nitroaromatic compounds Nitroimidazoles N-substituted imidazoles Sulfones Heteroaromatic compounds Alkanolamines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic salts Organic zwitterions Primary alcohols Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Tosyl compound - 1,2,4,5-tetrasubstituted imidazole - Benzenesulfonyl group - Nitroimidazole - Nitroaromatic compound - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Sulfone - Sulfonyl - Organic nitro compound - C-nitro compound - Alkanolamine - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic salt - Organosulfur compound - Primary alcohol - Hydrocarbon derivative - Organic oxygen compound - Alcohol - Organic zwitterion - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as tosyl compounds. These are organosulfur compounds containing a tosyl group, with the general formula CH3C6H4S(O2)R (R = any atom).
External Descriptors
Not available