Compound Identification
SMILES
COC(=O)[C@@H]1C2CCC(C[C@@H]1OC(=O)C1=CC=CC=C1)N2S(=O)(=O)C1=CC=C(OC)C=C1
InChIKey
InChIKey=CDPUGDZQVDKXFL-APDVGNCJSA-N
Formula
C23H25NO7S
Mass
459.51
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 Tropane alkaloids Piperidinecarboxylic acids Benzenesulfonyl compounds Anisoles Phenoxy compounds Benzoyl derivatives Methoxybenzenes Alkyl aryl ethers Organosulfonamides Sulfonyls Pyrrolidines Methyl esters Monocarboxylic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoate ester - Benzenesulfonamide - Piperidinecarboxylic acid - Tropane alkaloid - Benzenesulfonyl group - Phenoxy compound - Phenol ether - Methoxybenzene - Benzoyl - Anisole - Alkyl aryl ether - Organosulfonic acid amide - Piperidine - Sulfonyl - Methyl ester - Pyrrolidine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Carboxylic acid ester - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - 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