Compound Identification
SMILES
CC(C)CN([C@@H](CCCCNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)C1=CC=CC=C1)C(O)=O)S(=O)(=O)C1=CC=C(C)C=C1
InChIKey
InChIKey=YAKJBZJXQSRHOD-RZFJZAQRSA-N
Formula
C28H39N3O8S2
Mass
609.75
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
Proline and derivatives Alpha amino acid amides Benzenesulfonamides Benzenesulfonyl compounds Pyrrolidinecarboxamides Medium-chain fatty acids Branched fatty acids Heterocyclic fatty acids Hydroxy fatty acids Organosulfonamides Aminosulfonyl compounds Secondary carboxylic acid amides Secondary alcohols Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N,n-disubstituted p-toluenesulfonamide - Proline or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - Benzenesulfonamide - Benzenesulfonyl group - Pyrrolidine-2-carboxamide - Medium-chain fatty acid - Pyrrolidine carboxylic acid or derivatives - Branched fatty acid - Heterocyclic fatty acid - Hydroxy fatty acid - Fatty acyl - Organosulfonic acid amide - Fatty acid - Pyrrolidine - Organosulfonic acid or derivatives - Sulfonyl - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Carboxamide group - Secondary carboxylic acid amide - Secondary alcohol - Monocarboxylic acid or derivatives - Azacycle - Carboxylic acid - Carboxylic acid derivative - Organoheterocyclic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Alcohol - Carbonyl group - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Organic oxygen 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