Structure Information
Structure

Compound Identification

SMILES

NC(N)=NC1=CC=C(C=C1)C(=O)N(CC1=CC=C(C=C1)C(=O)NCC(O)=O)C1CCN(C1)S(=O)(=O)\C=C\C1=CC=C(Cl)C=C1

InChIKey

InChIKey=SKNWQIAHCVXAEO-JQIJEIRASA-N

Formula

C30H31ClN6O6S

Mass

639.12

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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

Aminobenzoic acids and derivatives

Direct Parent

Guanidinobenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Guanidinobenzoic acid or derivatives - Hippuric acid or derivatives - Hippuric acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Benzamide - Benzoyl - Styrene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Organosulfonic acid amide - Organic sulfonic acid amide - Pyrrolidine - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfonyl - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Carboxamide group - Guanidine - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Azacycle - Organosulfur compound - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as guanidinobenzoic acids and derivatives. These are aromatic compounds containing a guanidine group linked to the benzene ring of a benzoic acid (or a derivative thereof).

External Descriptors

Not available

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