Compound Identification
SMILES
NC1=NC=CC2=C1C=C(\C=C\C(=O)NN1CCC3=C(C=CC=C13)C1=CC=CC=C1S(N)(=O)=O)C=C2
InChIKey
InChIKey=UPXOHFVSEIMHSX-PKNBQFBNSA-N
Formula
C26H23N5O3S
Mass
485.56
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
Benzenesulfonamides Isoquinolines and derivatives Indoles and derivatives Benzenesulfonyl compounds Styrenes Aminopyridines and derivatives Organosulfonamides Imidolactams Heteroaromatic compounds Aminosulfonyl compounds Carboxylic acid hydrazides Amino acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid or derivatives - Benzenesulfonamide - Isoquinoline - Benzenesulfonyl group - Indole or derivatives - Styrene - Aminopyridine - Monocyclic benzene moiety - Pyridine - Organosulfonic acid amide - Benzenoid - Imidolactam - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Heteroaromatic compound - Amino acid or derivatives - Carboxylic acid hydrazide - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic oxygen compound - Organosulfur compound - Primary amine - Amine - 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