Compound Identification
SMILES
CCCCC[C@H](OCC1=CC=CC=C1)[C@H](O)[C@@H]1N[C@@H](CC(=O)NCCCCN(CCCO)S(=O)(=O)C2=CC=C(C)C=C2)CC=C1
InChIKey
InChIKey=MRRZGROWVPPAFE-RWJNZVCKSA-N
Formula
C35H53N3O6S
Mass
643.88
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 Benzylethers Organosulfonamides Hydropyridines Aminosulfonyl compounds Secondary carboxylic acid amides Secondary alcohols Alkanolamines Azacyclic compounds Dialkylamines Dialkyl ethers Hydrocarbon derivatives Primary alcohols Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N,n-disubstituted p-toluenesulfonamide - Beta amino acid or derivatives - Benzenesulfonamide - Benzenesulfonyl group - Benzylether - Hydropyridine - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Carboxamide group - Amino acid or derivatives - Secondary alcohol - Secondary carboxylic acid amide - Alkanolamine - Ether - Secondary aliphatic amine - Carboxylic acid derivative - Secondary amine - Dialkyl ether - Azacycle - Organoheterocyclic compound - Alcohol - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Primary alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - 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