Compound Identification
SMILES
COC1=CC=C(C=C1)S(=O)(=O)N1CCN(CC1)C(=O)CNC(=O)C1=CC=C(Br)C=C1
InChIKey
InChIKey=XXUJUVAEEIWKGL-UHFFFAOYSA-N
Formula
C20H22BrN3O5S
Mass
496.38
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
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
-
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 Benzenesulfonamides 4-halobenzoic acids and derivatives Benzenesulfonyl compounds Benzoyl derivatives Anisoles Phenoxy compounds Methoxybenzenes Bromobenzenes Alkyl aryl ethers Piperazines Aryl bromides Organosulfonamides Sulfonyls Tertiary carboxylic acid amides Secondary carboxylic acid amides Tertiary amines Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - Benzenesulfonamide - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzenesulfonyl group - Phenol ether - Phenoxy compound - Benzoyl - Anisole - Methoxybenzene - Bromobenzene - Alkyl aryl ether - Halobenzene - Organosulfonic acid amide - 1,4-diazinane - Piperazine - Aryl bromide - Aryl halide - Tertiary carboxylic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Tertiary amine - Azacycle - Ether - Organoheterocyclic compound - Carboxylic acid derivative - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organic oxide - Amine - Hydrocarbon derivative - Organosulfur compound - Organohalogen compound - Organobromide - Organonitrogen 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