Compound Identification
SMILES
CCNC1=C(NS(=O)(=O)C2=C(Cl)C=C(F)C=C2)C=C(C=C1)C(=O)OCC
InChIKey
InChIKey=ABHZOOWGFFJPFN-UHFFFAOYSA-N
Formula
C17H18ClFN2O4S
Mass
400.85
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
Sulfanilides Aminobenzoic acids and derivatives Benzenesulfonamides Benzenesulfonyl compounds Phenylalkylamines Aniline and substituted anilines Benzoyl derivatives Secondary alkylarylamines Chlorobenzenes Fluorobenzenes Organosulfonamides Aryl chlorides Aryl fluorides Aminosulfonyl compounds Amino acids and derivatives Carboxylic acid esters Organochlorides Organofluorides Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Aminobenzoic acid or derivatives - Benzenesulfonamide - Benzoate ester - Sulfanilide - Benzenesulfonyl group - Phenylalkylamine - Aniline or substituted anilines - Benzoyl - Chlorobenzene - Fluorobenzene - Secondary aliphatic/aromatic amine - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Organosulfonic acid amide - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxylic acid ester - Amino acid or derivatives - Secondary amine - Carboxylic acid derivative - Organohalogen compound - Organosulfur compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic 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