Compound Identification
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C=O)C#N
InChIKey
InChIKey=XVWXCCZGFARKAQ-ZJOUEHCJSA-N
Formula
C22H23N3O4S
Mass
425.5
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 Amphetamines and derivatives Benzenesulfonyl compounds Pyrrolidinecarboxamides Organosulfonamides Sulfonyls Secondary carboxylic acid amides Nitriles Azacyclic compounds Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N,n-disubstituted p-toluenesulfonamide - Proline or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - Amphetamine or derivatives - Benzenesulfonamide - Benzenesulfonyl group - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - Organosulfonic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Pyrrolidine - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Carbonitrile - Nitrile - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Organic nitrogen compound - Aldehyde - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Cyanide - 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