Structure Information
Structure

Compound Identification

SMILES

COC1=CC=CC=C1\C=C\C1=NN(C2=CC(=CC=C2)S(O)(=O)=O)C2(C1)SCC(=O)N2C1=NC2=CC=CC=C2S1

InChIKey

InChIKey=KPDUVHYUFMBOCS-BUHFOSPRSA-N

Formula

C27H22N4O5S3

Mass

578.68

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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 heteropolycyclic compounds

Substituents

Benzenesulfonate - 1-sulfo,2-unsubstituted aromatic compound - 1,3-benzothiazole - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Styrene - Phenoxy compound - Phenol ether - Methoxybenzene - Anisole - Alkyl aryl ether - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Pyrazoline - Thiazolidine - Thiazole - Tertiary carboxylic acid amide - Organosulfonic acid - Heteroaromatic compound - Sulfonyl - Azole - Lactam - N-alkylated hydrazone - Carboxamide group - Azacycle - Carboxylic acid derivative - Ether - Hydrazone - Organoheterocyclic compound - Dialkylthioether - Thioether - Organic oxygen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Carbonyl group - Aromatic heteropolycyclic 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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