Compound Identification
SMILES
CC(C)(C)OC(=O)C1=C(C=CC(Cl)=C1)S(=O)(=O)N1CCC(CNS(=O)(=O)C(F)(F)F)(CC1)C1CC1
InChIKey
InChIKey=WTGREQHTGTUODB-UHFFFAOYSA-N
Formula
C21H28ClF3N2O6S2
Mass
561.03
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
Benzoic acids and derivatives
- Level 5 Benzoic acid esters
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Subclass
Benzoic acids and derivatives
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzoic acid esters
Alternative Parents
3-halobenzoic acids and derivatives Benzenesulfonamides Benzenesulfonyl compounds Benzoyl derivatives Chlorobenzenes Piperidines Organosulfonamides Aryl chlorides Organic sulfonamides Aminosulfonyl compounds Trihalomethanes Carboxylic acid esters Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides Organonitrogen compounds Alkyl fluorides Organooxygen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzenesulfonamide - Benzoate ester - Benzenesulfonyl group - Benzoyl - Chlorobenzene - Halobenzene - Organic sulfonic acid amide - Organosulfonic acid amide - Aryl chloride - Aryl halide - Piperidine - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Trihalomethane - Carboxylic acid ester - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organochloride - Organohalogen compound - Organofluoride - Hydrocarbon derivative - Alkyl halide - Organonitrogen compound - Halomethane - Alkyl fluoride - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
External Descriptors
Not available