Compound Identification
SMILES
CCCCCNC(C(CN(CCCCC)S(=O)(=O)C1=CC=C(C)C=C1)C(O)=O)C1=C(Cl)C=C(Cl)C=C1
InChIKey
InChIKey=IUAUVAKNNGMCJV-UHFFFAOYSA-N
Formula
C27H38Cl2N2O4S
Mass
557.57
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
-
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
Phenylpropanoic acids Beta amino acids and derivatives Benzenesulfonamides Benzenesulfonyl compounds Dichlorobenzenes Aralkylamines Organosulfonamides Aryl chlorides Aminosulfonyl compounds Amino acids Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Hydrocarbon derivatives Organic oxides Organochlorides Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N,n-disubstituted p-toluenesulfonamide - 3-phenylpropanoic-acid - Beta amino acid or derivatives - Benzenesulfonamide - Benzenesulfonyl group - 1,3-dichlorobenzene - Aralkylamine - Chlorobenzene - Halobenzene - Aryl halide - Organosulfonic acid amide - Aryl chloride - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Amino acid - Amino acid or derivatives - Secondary amine - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Organic oxygen compound - Organosulfur compound - Organic nitrogen compound - Carbonyl group - Amine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organohalogen compound - Organochloride - 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