Compound Identification
SMILES
CC1=CC=C(C=C1)C(=O)NC(=CC1=CC(Br)=CC=C1)C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC1=NC=CS1
InChIKey
InChIKey=ZTUCZEGHEHNFFH-UHFFFAOYSA-N
Formula
C26H21BrN4O4S2
Mass
597.5
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
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Level 5
Benzamides
- Level 6 Hippuric acids and derivatives
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Level 5
Benzamides
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Subclass
Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Benzamides
Direct Parent
Hippuric acids and derivatives
Alternative Parents
N-acyl-alpha amino acids and derivatives Alpha amino acid amides Cinnamic acid amides Benzenesulfonamides Anilides Benzenesulfonyl compounds p-Toluamides N-arylamides Benzoyl derivatives Bromobenzenes Organosulfonamides Aryl bromides Aminosulfonyl compounds Heteroaromatic compounds Thiazoles Secondary carboxylic acid amides Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Cinnamic acid or derivatives - Cinnamic acid amide - Alpha-amino acid or derivatives - Benzenesulfonamide - Benzenesulfonyl group - P-toluamide - Toluamide - Anilide - N-arylamide - Benzoyl - Halobenzene - Bromobenzene - Toluene - Organosulfonic acid amide - Aryl bromide - Aryl halide - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Azole - Heteroaromatic compound - Sulfonyl - Thiazole - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organobromide - Organohalogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as hippuric acids and derivatives. These are compounds containing a hippuric acid or a derivative, with a structure characterized the presence of a benzoyl group linked to the N-terminal of a glycine.
External Descriptors
Not available