Structure Information
Structure

Compound Identification

SMILES

CCN1C(=O)C(CS(O)(=O)=O)=C(C)\C(=N\NC2=C(C=CC(NC3=NC(OC(C)C)=NC(Cl)=N3)=C2)S(O)(=O)=O)C1=O

InChIKey

InChIKey=XVAIRKHFTUTYAC-NTFVMDSBSA-N

Formula

C21H24ClN7O9S2

Mass

618.03

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzenesulfonic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Benzenesulfonic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Benzenesulfonate - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Benzenesulfonyl group - Phenylhydrazine - Aniline or substituted anilines - Alkoxy-s-triazine - Amino-1,3,5-triazine - Alkyl aryl ether - Aminotriazine - Chloro-s-triazine - Halo-s-triazine - Carboxylic acid imide, n-substituted - Hydropyridine - Triazine - 1,3,5-triazine - Aryl chloride - Aryl halide - Organosulfonic acid - Organosulfonic acid or derivatives - Sulfonyl - Dicarboximide - Carboxylic acid imide - Heteroaromatic compound - Alkanesulfonic acid - Organic sulfonic acid or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Hydrazone - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organic oxide - Amine - Organic oxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as benzenesulfonic acids and derivatives. These are organic compounds containing a sulfonic acid or a derivative thereof that is linked to a benzene ring.

External Descriptors

Not available

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