Structure Information
Structure

Compound Identification

SMILES

BrN(CC(N1CCSCC1)C(=O)NN1CCN(CC1)C1=CC=NC=C1)S(=O)(=O)C1=CC2=CC=CC=C2C(C=O)=C1

InChIKey

InChIKey=CWISAXTWBYSFCO-UHFFFAOYSA-N

Formula

C27H31BrN6O4S2

Mass

647.61

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Naphthalenes

Subclass

Naphthalene sulfonic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

2-naphthalene sulfonic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

2-naphthalene sulfonamide - Naphthalene sulfonamide - 2-naphthalene sulfonic acid or derivatives - Pyridinylpiperazine - N-arylpiperazine - Alpha-amino acid or derivatives - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aminopyridine - Aryl-aldehyde - 1,4-diazinane - 1,4-thiazinane - Piperazine - Pyridine - Heteroaromatic compound - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Amino acid or derivatives - Carboxylic acid hydrazide - Tertiary aliphatic amine - Tertiary amine - Organoheterocyclic compound - Dialkylthioether - Azacycle - Carboxylic acid derivative - Thioether - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Organosulfur compound - Amine - Aldehyde - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 2-naphthalene sulfonic acids and derivatives. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group (or a derivative thereof) at the 2-position. Naphthalene is a bicyclic compound that is made up of two fused benzene ring.

External Descriptors

Not available

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