Compound Identification
SMILES
CCNC1=C(NS(=O)(=O)C2=CC(OCC)=C(OCC)C=C2)C=C(C=C1)C(=O)OCC
InChIKey
InChIKey=BFGLHYRLSJZJMY-UHFFFAOYSA-N
Formula
C21H28N2O6S
Mass
436.52
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 Aniline and substituted anilines Phenylalkylamines Phenoxy compounds Benzoyl derivatives Phenol ethers Secondary alkylarylamines Alkyl aryl ethers Organosulfonamides Aminosulfonyl compounds Amino acids and derivatives Carboxylic acid esters Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Aminobenzoic acid or derivatives - Benzenesulfonamide - Benzoate ester - Sulfanilide - Benzenesulfonyl group - Phenoxy compound - Benzoyl - Phenylalkylamine - Aniline or substituted anilines - Phenol ether - Alkyl aryl ether - Secondary aliphatic/aromatic amine - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Organosulfonic acid or derivatives - Amino acid or derivatives - Carboxylic acid ester - Secondary amine - Carboxylic acid derivative - Ether - Amine - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organosulfur 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