Structure Information
Structure

Compound Identification

SMILES

CN(C1CCN(CCC2=CC=CC=C2C(O)=O)CC1)C(=O)[C@@H]1CCCN1S(=O)(=O)C1=CC2=C(C=C1)C(Cl)=CC=C2

InChIKey

InChIKey=IKYQDOYMJKGXGP-NDEPHWFRSA-N

Formula

C30H34ClN3O5S

Mass

584.13

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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 - Proline or derivatives - Alpha-amino acid amide - Chloronaphthalene - Alpha-amino acid or derivatives - Benzoic acid or derivatives - Benzoic acid - Phenethylamine - Benzoyl - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - Aralkylamine - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Piperidine - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Pyrrolidine - Organosulfonic acid or derivatives - Sulfonyl - Tertiary carboxylic acid amide - Tertiary aliphatic amine - Amino acid - Amino acid or derivatives - Carboxamide group - Tertiary amine - Organoheterocyclic compound - Azacycle - Carboxylic acid - Carboxylic acid derivative - Amine - Carbonyl group - Organic nitrogen compound - Organohalogen compound - Organic oxide - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - 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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