Compound Identification
SMILES
COC1=CC=CC(\C=C\C(=O)NC2=CC(=C(Cl)C=C2)S(=O)(=O)NC2=CC=C(Br)C=C2)=C1
InChIKey
InChIKey=MQPGSQCMHHABQR-LFYBBSHMSA-N
Formula
C22H18BrClN2O4S
Mass
521.81
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
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Class
Cinnamic acids and derivatives
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Subclass
Hydroxycinnamic acids and derivatives
- Level 5 Coumaric acids and derivatives
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Subclass
Hydroxycinnamic acids and derivatives
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Class
Cinnamic acids and derivatives
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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 Sulfanilides Benzenesulfonamides Anilides Benzenesulfonyl compounds Styrenes Phenoxy compounds Anisoles N-arylamides Methoxybenzenes Alkyl aryl ethers Bromobenzenes Chlorobenzenes Organosulfonamides Aryl bromides Aryl chlorides Aminosulfonyl compounds Secondary carboxylic acid amides Organobromides Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Coumaric acid or derivatives - Cinnamic acid amide - Benzenesulfonamide - Sulfanilide - Benzenesulfonyl group - Anilide - Phenoxy compound - Anisole - Methoxybenzene - N-arylamide - Phenol ether - Styrene - Alkyl aryl ether - Halobenzene - Chlorobenzene - Bromobenzene - Aryl bromide - Aryl chloride - Benzenoid - Organosulfonic acid amide - Aryl halide - Monocyclic benzene moiety - Sulfonyl - Organosulfonic acid or derivatives - Aminosulfonyl compound - Organic sulfonic acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Ether - Organobromide - Organochloride - Organic oxygen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Aromatic homomonocyclic 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