ClassyFire

Compound Identification

SMILES

OS(=O)(=O)OC[C@H]1O[C@@H](OCC2=CC(NC(=O)C3=CC(=CC(=C3)C(=O)NC3=C(Cl)C=CC(CO[C@@H]4O[C@H](COS(O)(=O)=O)[C@@H](O[C@@H]5O[C@H](COS(O)(=O)=O)[C@@H](OS(O)(=O)=O)[C@H](OS(O)(=O)=O)[C@H]5OS(O)(=O)=O)[C@H](OS(O)(=O)=O)[C@H]4OS(O)(=O)=O)=C3)C(=O)NC3=C(Cl)C=CC(CO[C@@H]4O[C@H](COS(O)(=O)=O)[C@@H](O[C@@H]5O[C@H](COS(O)(=O)=O)[C@@H](OS(O)(=O)=O)[C@H](OS(O)(=O)=O)[C@H]5OS(O)(=O)=O)[C@H](OS(O)(=O)=O)[C@H]4OS(O)(=O)=O)=C3)=C(Cl)C=C2)[C@H](OS(O)(=O)=O)[C@@H](OS(O)(=O)=O)[C@@H]1O[C@@H]1O[C@H](COS(O)(=O)=O)[C@@H](OS(O)(=O)=O)[C@H](OS(O)(=O)=O)[C@H]1OS(O)(=O)=O

InChIKey

InChIKey=JFJKTLAJARJELN-DCZFWVGPSA-N

Formula

C66H84Cl3N3O99S21

Mass

3282.93

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Anilides
      - Level 5 Aromatic anilides
        
        Level 6 Benzanilides

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Anilides

Intermediate Tree Nodes

Aromatic anilides

Direct Parent

Benzanilides

Alternative Parents

Disaccharide sulfates O-glycosyl compounds Benzamides Benzoyl derivatives Chlorobenzenes Oxanes Sulfuric acid monoesters Aryl chlorides Alkyl sulfates Secondary carboxylic acid amides Acetals Oxacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Benzanilide - Disaccharide sulfate - O-glycosyl compound - Glycosyl compound - Disaccharide - Benzamide - Benzoic acid or derivatives - Benzoyl - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Sulfuric acid ester - Alkyl sulfate - Sulfate-ester - Sulfuric acid monoester - Oxane - Organic sulfuric acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Acetal - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene.

External Descriptors

Not available

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