Compound Identification
SMILES
COC1=CC2=C(C=C1)C=C(\C=C\C(=O)N1CC[NH+](CC1)[C@@H]1CCS(=O)(=O)C1)C=C2
InChIKey
InChIKey=SAEVHZLTUPVGJG-WRSLSUIGSA-O
Formula
C22H27N2O4S
Mass
415.53
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
Naphthalenes Styrenes Anisoles Alkyl aryl ethers N-alkylpiperazines Thiolanes Tertiary carboxylic acid amides Sulfones Quaternary ammonium salts Trialkylamines Amino acids and derivatives Azacyclic compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid or derivatives - Naphthalene - Anisole - Phenol ether - Styrene - Alkyl aryl ether - N-alkylpiperazine - 1,4-diazinane - Benzenoid - Piperazine - Quaternary ammonium salt - Sulfone - Tertiary carboxylic acid amide - Thiolane - Tertiary aliphatic amine - Amino acid or derivatives - Tertiary amine - Carboxamide group - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Ether - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Amine - Organic cation - Aromatic heteropolycyclic 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