Compound Identification
SMILES
ClC1=CC(Cl)=C(\C=C\C(=O)N2CCN(CC2)[C@@H]2CCS(=O)(=O)C2)C=C1
InChIKey
InChIKey=UTBUPCGIBJSDRU-TXTHVTMNSA-N
Formula
C17H20Cl2N2O3S
Mass
403.32
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Cinnamic acids and derivatives
Alternative Parents
Styrenes Dichlorobenzenes N-alkylpiperazines Aryl chlorides Thiolanes Tertiary carboxylic acid amides Sulfones Trialkylamines Amino acids and derivatives Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid or derivatives - 1,3-dichlorobenzene - Styrene - Halobenzene - N-alkylpiperazine - Chlorobenzene - Aryl chloride - 1,4-diazinane - Aryl halide - Piperazine - Monocyclic benzene moiety - Benzenoid - Sulfone - Tertiary carboxylic acid amide - Thiolane - Tertiary amine - Tertiary aliphatic amine - Carboxamide group - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organooxygen compound - Organic nitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as cinnamic acids and derivatives. These are organic aromatic compounds containing a benzene and a carboxylic acid group (or a derivative thereof) forming 3-phenylprop-2-enoic acid.
External Descriptors
Not available