Compound Identification
SMILES
ClC1=C(C=C(C=C1)C(=O)OCC(=O)N1CCN(CC1)C(=O)C1=CC=CO1)S(=O)(=O)N1CCCCC1
InChIKey
InChIKey=WVSUUBVPQCYLIJ-UHFFFAOYSA-N
Formula
C23H26ClN3O7S
Mass
523.99
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
4-halobenzoic acids and derivatives Benzenesulfonamides Benzenesulfonyl compounds 2-heteroaryl carboxamides Benzoyl derivatives Furoic acid and derivatives Chlorobenzenes Aryl chlorides Piperidines Piperazines Organosulfonamides Tertiary carboxylic acid amides Sulfonyls Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Oxacyclic compounds Organonitrogen compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-halobenzoic acid or derivatives - Benzenesulfonamide - Benzoate ester - Halobenzoic acid or derivatives - Benzenesulfonyl group - 2-heteroaryl carboxamide - Furoic acid or derivatives - Benzoyl - Halobenzene - Chlorobenzene - Aryl chloride - Piperazine - Piperidine - Organosulfonic acid amide - Aryl halide - 1,4-diazinane - Furan - Sulfonyl - Tertiary carboxylic acid amide - Organic sulfonic acid or derivatives - Heteroaromatic compound - Organosulfonic acid or derivatives - Carboxamide group - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Oxacycle - Organohalogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organochloride - Organonitrogen 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