Structure Information
Structure

Compound Identification

SMILES

CC1=C(C)C2=C(N=C(CN3CCOCC3)N=C2S1)N1CCN(CC1)S(=O)(=O)C1=CC2=CC=CC=C2C=C1

InChIKey

InChIKey=MIWXNJBMCFSAML-UHFFFAOYSA-N

Formula

C27H31N5O3S2

Mass

537.7

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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 - N-arylpiperazine - Thienopyrimidine - Dialkylarylamine - Aminopyrimidine - Aralkylamine - Morpholine - Oxazinane - Imidolactam - Piperazine - Pyrimidine - 1,4-diazinane - Organosulfonic acid amide - Heteroaromatic compound - Thiophene - Organic sulfonic acid or derivatives - Sulfonyl - Organosulfonic acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Ether - Dialkyl ether - Oxacycle - Organoheterocyclic compound - Azacycle - Amine - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - 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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