Compound Identification
SMILES
COC1=CC=CC=C1N(CC=C)S(=O)(=O)C1=CC=CC(=C1)C(=O)O[C@H](C)C#N
InChIKey
InChIKey=TTYQQBDGLCFFSA-OAHLLOKOSA-N
Formula
C20H20N2O5S
Mass
400.45
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
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Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acid esters
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Subclass
Benzoic acids and derivatives
-
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 Benzenesulfonamides Methoxyanilines Benzenesulfonyl compounds Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Alkyl aryl ethers Organosulfonamides Aminosulfonyl compounds Carboxylic acid esters Nitriles Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzenesulfonamide - Benzoate ester - Sulfanilide - Methoxyaniline - Benzenesulfonyl group - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Methoxybenzene - Alkyl aryl ether - Organosulfonic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Carboxylic acid ester - Carboxylic acid derivative - Ether - Nitrile - Carbonitrile - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Cyanide - Organic oxygen compound - Hydrocarbon derivative - 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