Compound Identification
SMILES
C[C@H]1CN(CCN1C1=CC(F)=C(C=C1)C(F)(F)F)S(=O)(=O)C1=CC(CC(O)=O)=C(C)C=C1
InChIKey
InChIKey=NSLBVSNWFRQDSR-AWEZNQCLSA-N
Formula
C21H22F4N2O4S
Mass
474.47
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
Phenylpiperazines N-arylpiperazines Trifluoromethylbenzenes Benzenesulfonamides Benzenesulfonyl compounds Aniline and substituted anilines Dialkylarylamines Fluorobenzenes Organosulfonamides Aryl fluorides Sulfonyls Amino acids Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Alkyl fluorides Organic oxides Carbonyl compounds Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N,n-disubstituted p-toluenesulfonamide - Phenylpiperazine - N-arylpiperazine - Benzenesulfonamide - Trifluoromethylbenzene - Benzenesulfonyl group - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Halobenzene - Fluorobenzene - 1,4-diazinane - Aryl halide - Piperazine - Aryl fluoride - Organosulfonic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Amino acid - Amino acid or derivatives - Tertiary amine - Carboxylic acid - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Amine - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Alkyl fluoride - Organic oxide - Alkyl halide - Hydrocarbon derivative - 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