Compound Identification
SMILES
COC1=CC=C(C=C(C#N)C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C2=CC=C(Cl)C=C2)C=C1
InChIKey
InChIKey=BVZLXYBJGOEIJO-UHFFFAOYSA-N
Formula
C23H22ClN3O6S
Mass
503.95
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Cinnamic acids and derivatives
- Subclass Cinnamic acid esters
-
Class
Cinnamic acids and derivatives
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Subclass
Cinnamic acid esters
Intermediate Tree Nodes
Not available
Direct Parent
Cinnamic acid esters
Alternative Parents
Benzenesulfonamides Benzenesulfonyl compounds Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Chlorobenzenes Fatty acid esters Piperazines Organosulfonamides Aryl chlorides Tertiary carboxylic acid amides Sulfonyls Enoate esters Nitriles Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid ester - Benzenesulfonamide - Benzenesulfonyl group - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Chlorobenzene - Fatty acid ester - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - Fatty acyl - Piperazine - Organosulfonic acid amide - Benzenoid - Organic sulfonic acid or derivatives - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary carboxylic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Carboxamide group - Carboxylic acid ester - Organoheterocyclic compound - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Azacycle - Carboxylic acid derivative - Ether - Carbonyl group - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organochloride - Cyanide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as cinnamic acid esters. These are compound containing an ester derivative of cinnamic acid.
External Descriptors
Not available