Compound Identification
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OC1=CC=CC(C=C(C#N)C(=O)NC2=CC=CC3=CC=CC=C23)=C1
InChIKey
InChIKey=OICWZBRNDCAOAM-UHFFFAOYSA-N
Formula
C27H20N2O4S
Mass
468.53
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Cinnamic acids and derivatives
-
Subclass
Hydroxycinnamic acids and derivatives
- Level 5 Coumaric acids and derivatives
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Subclass
Hydroxycinnamic acids and derivatives
-
Class
Cinnamic acids and derivatives
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Subclass
Hydroxycinnamic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Coumaric acids and derivatives
Alternative Parents
Cinnamic acid amides p-Methylbenzenesulfonates Benzenesulfonate esters Tosyl compounds Naphthalenes Arylsulfonic acids and derivatives Benzenesulfonyl compounds Phenoxy compounds N-arylamides Organosulfonic acid esters Sulfonyls Secondary carboxylic acid amides Nitriles Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Cinnamic acid amide - Coumaric acid or derivatives - Benzenesulfonate ester - P-methylbenzenesulfonate - Naphthalene - Benzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Phenoxy compound - N-arylamide - Toluene - Monocyclic benzene moiety - Organosulfonic acid ester - Benzenoid - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Carbonitrile - Nitrile - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Organosulfur compound - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as coumaric acids and derivatives. These are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring.
External Descriptors
Not available