Compound Identification
SMILES
CC(OC(=O)C1=CC=CC=C1NS(=O)(=O)C1=C(Cl)C=CC(Cl)=C1)C(=O)N(CCC#N)C1=CC=CC=C1
InChIKey
InChIKey=IHBBNXZEZXBEED-UHFFFAOYSA-N
Formula
C25H21Cl2N3O5S
Mass
546.42
Taxonomic Classification
Taxonomy Tree
-
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
Benzenesulfonamides Sulfanilides Anilides Benzenesulfonyl compounds Benzoyl derivatives Dichlorobenzenes Organosulfonamides Aryl chlorides Vinylogous amides Aminosulfonyl compounds Tertiary carboxylic acid amides Carboxylic acid esters Nitriles Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Sulfanilide - Benzoate ester - Benzenesulfonamide - Anilide - Benzenesulfonyl group - Benzoyl - 1,4-dichlorobenzene - Halobenzene - Chlorobenzene - Organosulfonic acid amide - Aryl chloride - Aryl halide - Vinylogous amide - Aminosulfonyl compound - Tertiary carboxylic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxamide group - Carboxylic acid ester - Carboxylic acid derivative - Carbonitrile - Nitrile - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Cyanide - Organohalogen compound - Organic nitrogen compound - Organic oxygen 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