Structure Information
Structure

Compound Identification

SMILES

OC(=O)[C@H](CN1C=NC2=C1N=CN=C2N1CCC(CC1)C(=O)NC1=NCCCN1)NS(=O)(=O)C1=CC=CC2=CC=CC=C12

InChIKey

InChIKey=SQNUTVHTLYFCDR-NRFANRHFSA-N

Formula

C28H31N9O5S

Mass

605.67

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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 - 6-alkylaminopurine - 6-aminopurine - Alpha-amino acid or derivatives - Imidazopyrimidine - Piperidinecarboxamide - Purine - Dialkylarylamine - Aminopyrimidine - Hydropyrimidine - 1,4,5,6-tetrahydropyrimidine - N-substituted imidazole - Piperidine - Pyrimidine - Organosulfonic acid amide - Imidolactam - Aminosulfonyl compound - Sulfonyl - Imidazole - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Azole - Guanidine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Amine - Organonitrogen compound - Organooxygen 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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