Compound Identification
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N(CC1=CC=CC=C1)C1=C(O)C=C(NC2=NC(=NC(=N2)N2C[C@H](O)[C@H](O)C2)N2C[C@@H](N)C[C@@H](N)C2)C=C1
InChIKey
InChIKey=IIPJQRSNLDGJIW-FKYXBBJVSA-N
Formula
C32H39N9O5S
Mass
661.78
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
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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 Benzenesulfonamides Benzenesulfonyl compounds m-Aminophenols Aniline and substituted anilines Dialkylarylamines 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Aminopiperidines Aminotriazines 1,3,5-triazines Organosulfonamides Aminosulfonyl compounds Pyrrolidines Heteroaromatic compounds 1,2-diols Secondary alcohols Azacyclic compounds Secondary amines Monoalkylamines Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N,n-disubstituted p-toluenesulfonamide - Sulfanilide - Benzenesulfonamide - Benzenesulfonyl group - M-aminophenol - Dialkylarylamine - Aniline or substituted anilines - Aminophenol - Amino-1,3,5-triazine - Aminotriazine - Phenol - 1-hydroxy-2-unsubstituted benzenoid - 3-aminopiperidine - 1-hydroxy-4-unsubstituted benzenoid - 1,3,5-triazine - Piperidine - Triazine - Organosulfonic acid amide - Heteroaromatic compound - Pyrrolidine - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - 1,2-diol - Tertiary amine - Secondary alcohol - Azacycle - Organoheterocyclic compound - Secondary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organosulfur compound - Amine - Primary amine - 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