Compound Identification
SMILES
COC(=O)C1=CC=C(CCC2=CC3=C(NC(NC(=O)C(C)(C)C)=NC3=O)N2S(=O)(=O)C2=CC=C(C)C=C2)C=C1
InChIKey
InChIKey=IUGRYIVOXWJCSV-UHFFFAOYSA-N
Formula
C28H30N4O6S
Mass
550.63
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
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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
Tosyl compounds Benzenesulfonamides Pyrrolo[2,3-d]pyrimidines Benzenesulfonyl compounds N-arylamides Benzoyl derivatives Pyrimidones Substituted pyrroles Vinylogous amides Sulfonyls Organosulfonic acids and derivatives Methyl esters Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzenesulfonamide - Benzoate ester - Tosyl compound - Pyrrolo[2,3-d]pyrimidine - Benzenesulfonyl group - Pyrrolopyrimidine - Benzoyl - N-arylamide - Pyrimidone - Toluene - Substituted pyrrole - Pyrimidine - Pyrrole - Heteroaromatic compound - Organic sulfonic acid or derivatives - Methyl ester - Vinylogous amide - Sulfonyl - Organosulfonic acid or derivatives - Carboxylic acid ester - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Aromatic heteropolycyclic 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