Structure Information
Structure

Compound Identification

SMILES

CC1=C(C=CC(NC(=O)OC(C)(C)C)=C1)C(=O)N1CCN(CC1)S(=O)(=O)C1=CC2=C(C=C1)C=C(Cl)C=C2

InChIKey

InChIKey=GSJROMKIMLCBFP-UHFFFAOYSA-N

Formula

C27H30ClN3O5S

Mass

544.06

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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 - Chloronaphthalene - Phenylcarbamic acid ester - Benzamide - Benzoic acid or derivatives - Toluamide - O-toluamide - Benzoyl - Toluene - 1,4-diazinane - Aryl halide - Aryl chloride - Organosulfonic acid amide - Monocyclic benzene moiety - Piperazine - Carbamic acid ester - Tertiary carboxylic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organooxygen compound - Organic oxygen compound - Organosulfur compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen 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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