Compound Identification
SMILES
BrC1=CC=C(\C=C\C(=O)N2CC[NH+](CC2)[C@@H]2CCS(=O)(=O)C2)C=C1
InChIKey
InChIKey=ZTIHSDMODXYDCY-WUTVXBCWSA-O
Formula
C17H22BrN2O3S
Mass
414.34
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 N-alkylpiperazines Bromobenzenes Aryl bromides Thiolanes Tertiary carboxylic acid amides Sulfones Quaternary ammonium salts Trialkylamines Amino acids and derivatives Azacyclic compounds Organobromides Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid or derivatives - Styrene - Bromobenzene - Halobenzene - N-alkylpiperazine - Aryl bromide - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Benzenoid - Tertiary carboxylic acid amide - Sulfone - Quaternary ammonium salt - Thiolane - Tertiary amine - Amino acid or derivatives - Tertiary aliphatic amine - Carboxamide group - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organooxygen compound - Amine - Organic oxygen compound - Organic oxide - Organohalogen compound - Carbonyl group - Organic nitrogen compound - Organobromide - Organonitrogen compound - Organic cation - 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