Compound Identification
SMILES
COC1=C(Cl)C=C(NC(=O)CN(C2=C(Cl)C=CC(Cl)=C2)S(=O)(=O)C2=CC=C(C)C=C2)C=C1
InChIKey
InChIKey=LCAVFDREYKIBJF-UHFFFAOYSA-N
Formula
C22H19Cl3N2O4S
Mass
513.81
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 - P-toluenesulfonamides
Direct Parent
N,N-disubstituted p-toluenesulfonamides
Alternative Parents
Sulfanilides Alpha amino acids and derivatives Benzenesulfonamides Methoxyanilines Anilides Benzenesulfonyl compounds Phenoxy compounds N-arylamides Methoxybenzenes Dichlorobenzenes Anisoles Alkyl aryl ethers Organosulfonamides Aryl chlorides Aminosulfonyl compounds Secondary carboxylic acid amides Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N,n-disubstituted p-toluenesulfonamide - Alpha-amino acid or derivatives - Benzenesulfonamide - Sulfanilide - Anilide - Benzenesulfonyl group - Methoxyaniline - Anisole - Phenoxy compound - 1,4-dichlorobenzene - Phenol ether - N-arylamide - Methoxybenzene - Chlorobenzene - Halobenzene - Alkyl aryl ether - Organosulfonic acid amide - Aryl halide - Aryl chloride - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Ether - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as n,n-disubstituted p-toluenesulfonamides. These are p-toluenesulfonamide derivatives in which the sulfonamide moiety is N,N-disubstituted.
External Descriptors
Not available