Compound Identification
SMILES
CC1=CC=C(C=C1)C(=O)NC(=CC1=CC(=CC=C1)[N+]([O-])=O)C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC1=NC=CS1
InChIKey
InChIKey=ZPHBGQKACAWSTN-UHFFFAOYSA-N
Formula
C26H21N5O6S2
Mass
563.6
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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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 p-Toluamides Anilides Benzenesulfonyl compounds Nitrobenzenes Benzoyl derivatives N-arylamides Nitroaromatic compounds Organosulfonamides Aminosulfonyl compounds Heteroaromatic compounds Thiazoles Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic salts Hydrocarbon derivatives Organic zwitterions Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Cinnamic acid amide - Cinnamic acid or derivatives - Alpha-amino acid or derivatives - Benzenesulfonamide - Benzenesulfonyl group - P-toluamide - Toluamide - Nitrobenzene - Anilide - Benzoyl - Nitroaromatic compound - N-arylamide - Toluene - Organosulfonic acid amide - Heteroaromatic compound - Aminosulfonyl compound - Thiazole - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Azole - Organic nitro compound - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Organoheterocyclic compound - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Organic salt - Hydrocarbon derivative - Organic zwitterion - Organosulfur compound - Carbonyl group - Organonitrogen compound - Organooxygen 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