Compound Identification
SMILES
CCOC(=O)CC(C)NC(=O)C1=CSC(=N1)C1CCN(CC1)S(=O)(=O)C1=CC(Cl)=C(C)C=C1
InChIKey
InChIKey=NTDRGQWMZLAQDZ-UHFFFAOYSA-N
Formula
C22H28ClN3O5S2
Mass
514.05
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
Beta amino acids and derivatives Benzenesulfonamides Benzenesulfonyl compounds Thiazolecarboxamides 2-heteroaryl carboxamides 2,4-disubstituted thiazoles Chlorobenzenes Fatty acid esters Piperidines Organosulfonamides Aryl chlorides Sulfonyls Heteroaromatic compounds Carboxylic acid esters Secondary carboxylic acid amides Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Organic oxides Organochlorides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N,n-disubstituted p-toluenesulfonamide - Beta amino acid or derivatives - Benzenesulfonamide - Benzenesulfonyl group - 2-heteroaryl carboxamide - Thiazolecarboxamide - Thiazolecarboxylic acid or derivatives - 2,4-disubstituted 1,3-thiazole - Chlorobenzene - Fatty acid ester - Halobenzene - Aryl chloride - Aryl halide - Piperidine - Organosulfonic acid amide - Fatty acyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Thiazole - Azole - Sulfonyl - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organochloride - Carbonyl group - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteromonocyclic 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