Compound Identification
SMILES
[Na+].COC1=C(NS(=O)(=O)C2=CC=C(C)C=C2)C=C(C=C1)S([O-])(=O)=O
InChIKey
InChIKey=DHSICNHNCADDDV-UHFFFAOYSA-M
Formula
C14H14NNaO6S2
Mass
379.38
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Toluenes
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Level 5
Tosyl compounds
- Level 6 P-toluenesulfonamides
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Level 5
Tosyl compounds
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Subclass
Toluenes
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Toluenes
Intermediate Tree Nodes
Tosyl compounds
Direct Parent
P-toluenesulfonamides
Alternative Parents
Sulfanilides Benzenesulfonamides Benzenesulfonic acids and derivatives 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Methoxyanilines Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Organosulfonamides Organosulfonic acids Aminosulfonyl compounds Organic sodium salts Hydrocarbon derivatives Organonitrogen compounds Organic oxides Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
P-toluenesulfonamide - Benzenesulfonamide - Sulfanilide - Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Methoxyaniline - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Organosulfonic acid amide - Aminosulfonyl compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Organosulfonic acid - Organic alkali metal salt - Ether - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic salt - Organic sodium salt - Hydrocarbon derivative - Organic oxide - Organic cation - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as p-toluenesulfonamides. These are aromatic heterocyclic compounds containing a toluene that is p-substituted with a sulfonamide group.
External Descriptors
Not available