Compound Identification
SMILES
COC1=C(F)C=C(\C=C\C(=O)N2CCN(CC2)[C@@H]2CCS(=O)(=O)C2)C=C1
InChIKey
InChIKey=ORLFNASGVWVYON-SJDLMVEWSA-N
Formula
C18H23FN2O4S
Mass
382.45
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
Anisoles Methoxybenzenes Phenoxy compounds Styrenes Alkyl aryl ethers Fluorobenzenes N-alkylpiperazines Aryl fluorides Thiolanes Tertiary carboxylic acid amides Sulfones Trialkylamines Amino acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid or derivatives - Phenoxy compound - Anisole - Phenol ether - Styrene - Methoxybenzene - Alkyl aryl ether - Halobenzene - Fluorobenzene - N-alkylpiperazine - Aryl fluoride - Aryl halide - Piperazine - 1,4-diazinane - Benzenoid - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Thiolane - Sulfone - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Ether - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organic oxygen compound - Organic nitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organohalogen compound - Organofluoride - Organonitrogen 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