Compound Identification
SMILES
CC(C)(C)OC(=O)C1=CC=C(CN2C(=O)C(=O)C3=C2C=CC(=C3)S(=O)(=O)N2CCC[C@H]2COC2=CC=CC=C2)C=C1
InChIKey
InChIKey=CPVKXCFULIQWTD-QHCPKHFHSA-N
Formula
C31H32N2O7S
Mass
576.66
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
Indoles and derivatives Phenoxy compounds Phenol ethers Aryl ketones Benzoyl derivatives Alkyl aryl ethers Organosulfonamides Vinylogous amides Tertiary carboxylic acid amides Sulfonyls Pyrrolidines Lactams Carboxylic acid esters Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoate ester - Indole or derivatives - Benzoyl - Phenoxy compound - Phenol ether - Aryl ketone - Alkyl aryl ether - Organosulfonic acid amide - Vinylogous amide - Tertiary carboxylic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Pyrrolidine - Carboxamide group - Carboxylic acid ester - Ketone - Lactam - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organosulfur compound - Organooxygen compound - Organonitrogen 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