Compound Identification
SMILES
NC(=O)C1=C(NC(=O)COC(=O)C2=CC(=C(Cl)C=C2)S(=O)(=O)N2CCCC2)SC=C1
InChIKey
InChIKey=UKIJEFREDTXIIQ-UHFFFAOYSA-N
Formula
C18H18ClN3O6S2
Mass
471.93
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 Thiophene carboxamides N-arylamides Benzoyl derivatives Chlorobenzenes Aryl chlorides Organosulfonamides Vinylogous amides Sulfonyls Pyrrolidines Heteroaromatic compounds Secondary carboxylic acid amides Primary carboxylic acid amides Carboxylic acid esters Azacyclic compounds Organic oxides Organochlorides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzenesulfonamide - Benzoate ester - Halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Benzenesulfonyl group - Benzoyl - N-arylamide - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Organosulfonic acid amide - Thiophene - Sulfonyl - Vinylogous amide - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Pyrrolidine - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Primary carboxylic acid amide - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organochloride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - 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