Compound Identification
SMILES
CCOC(=O)C1=C(N=C(C)N=C1C(=O)N1CCN(C(C)C1)S(=O)(=O)C1=CC=C(C)C=C1)C1=CC=CC=C1
InChIKey
InChIKey=MTVJYMCVRZUWMI-UHFFFAOYSA-N
Formula
C27H30N4O5S
Mass
522.62
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
Phenylpyrimidines Benzenesulfonamides Pyrimidinecarboxylic acids Benzenesulfonyl compounds 2-heteroaryl carboxamides Piperazines Organosulfonamides Tertiary carboxylic acid amides Sulfonyls Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Organooxygen compounds Organic oxides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N,n-disubstituted p-toluenesulfonamide - 4-phenylpyrimidine - Benzenesulfonamide - Benzenesulfonyl group - Pyrimidine-5-carboxylic acid - Pyrimidine-5-carboxylic acid or derivatives - Pyrimidine-6-carboxylic acid or derivatives - 2-heteroaryl carboxamide - 1,4-diazinane - Piperazine - Pyrimidine - Organosulfonic acid amide - Heteroaromatic compound - Tertiary carboxylic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Carboxamide group - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen 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