Structure Information
Structure

Compound Identification

SMILES

COC1=NC(=NC(OC2=C(C=C)C=C(C=C2)C(NC(=O)NC(C)(C)C)C(=O)NC2=CC=CC(=C2)C(=O)NS(=O)(=O)C2=CC=C(C=C2)C(F)(F)F)=C1)C1=CC=CC=C1

InChIKey

InChIKey=KGGMDNMLGKIVRP-UHFFFAOYSA-N

Formula

C40H37F3N6O7S

Mass

802.83

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzoic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Acylaminobenzoic acid and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

N-carbamoyl-alpha-amino acid or derivatives - Acylaminobenzoic acid or derivatives - Alpha-amino acid amide - Diaryl ether - Phenylacetamide - Benzenesulfonamide - Alpha-amino acid or derivatives - N-substituted-alpha-amino acid - Trifluoromethylbenzene - Anilide - Benzenesulfonyl group - Benzoyl - Phenoxy compound - Phenol ether - N-arylamide - Styrene - Alkyl aryl ether - Pyrimidine - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Heteroaromatic compound - Urea - Secondary carboxylic acid amide - Carboxamide group - Carbonic acid derivative - Carboxylic acid derivative - Azacycle - Ether - Organoheterocyclic compound - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as acylaminobenzoic acid and derivatives. These are derivatives of amino benzoic acid derivatives where the amine group is N-acylated.

External Descriptors

Not available

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