Compound Identification
SMILES
CCCN([C@@H]1CCN(C2=C(C=CC(OC)=C2)[C@H]1OC(=O)CCl)S(=O)(=O)C1=CC=C(C)C=C1)C(=O)CCl
InChIKey
InChIKey=NQYZRAGWOKGSOL-PXDATVDWSA-N
Formula
C25H30Cl2N2O6S
Mass
557.48
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
Benzazepines Benzenesulfonamides Benzenesulfonyl compounds Anisoles Alkyl aryl ethers Azepines Organosulfonamides Tertiary carboxylic acid amides Sulfonyls Alpha-halocarboxylic acid derivatives Chloroacetamides Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives Organic oxides Organochlorides Alkyl chlorides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N,n-disubstituted p-toluenesulfonamide - Benzazepine - Benzenesulfonamide - Benzenesulfonyl group - Phenol ether - Anisole - Alkyl aryl ether - Azepine - Organosulfonic acid amide - Alpha-halocarboxylic acid derivative - Chloroacetamide - Tertiary carboxylic acid amide - Sulfonyl - Alpha-halocarboxylic acid or derivatives - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxamide group - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Alkyl halide - Organooxygen compound - Carbonyl group - Organosulfur compound - Alkyl chloride - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organic oxygen compound - Organic oxide - Organohalogen compound - Organochloride - Aromatic heteropolycyclic 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