Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)N1CC[C@H](NS(=O)(=O)C2=CC=C(NC(=O)C3=CC=CC=C3C)C3=CC=CC=C23)[C@@H](C)C1

InChIKey

InChIKey=ZIOCSXNTHJDZSC-CVDCTZTESA-N

Formula

C27H31N3O5S

Mass

509.62

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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

1-naphthalene sulfonic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

1-naphthalene sulfonamide - Naphthalene sulfonamide - 1-naphthalene sulfonic acid or derivatives - Benzamide - Benzoic acid or derivatives - Piperidinecarboxylic acid - Toluamide - O-toluamide - Benzoyl - Toluene - Monocyclic benzene moiety - Piperidine - Organosulfonic acid amide - Aminosulfonyl compound - Carbamic acid ester - Sulfonyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 1-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 1-position. Naphthalene is a bicyclic compound that is made up of two fused benzene ring.

External Descriptors

Not available

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