Compound Identification
SMILES
Cl.COC1=C(NS(=O)(=O)C2=CC=C(N3CCCNCC3)C3=CC=CC=C23)C=CC(C)=C1
InChIKey
InChIKey=GQKCPDCECZCSQJ-UHFFFAOYSA-N
Formula
C23H28ClN3O3S
Mass
462.01
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
- Class Naphthalenes
-
Superclass
Benzenoids
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
1-naphthalene sulfonamides Sulfanilides Methoxyanilines Phenoxy compounds Methoxybenzenes Dialkylarylamines Anisoles Toluenes 1,4-diazepanes Alkyl aryl ethers Organosulfonamides Aminosulfonyl compounds Dialkylamines Azacyclic compounds Hydrocarbon derivatives Hydrochlorides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-naphthalene sulfonamide - Naphthalene sulfonamide - 1-naphthalene sulfonic acid or derivatives - Sulfanilide - Methoxyaniline - Tertiary aliphatic/aromatic amine - Phenoxy compound - Anisole - Dialkylarylamine - Phenol ether - Methoxybenzene - 1,4-diazepane - Toluene - Alkyl aryl ether - Diazepane - Organosulfonic acid amide - Monocyclic benzene moiety - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Tertiary amine - Organoheterocyclic compound - Secondary amine - Ether - Azacycle - Secondary aliphatic amine - Organic nitrogen compound - Hydrochloride - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Amine - Organic oxide - 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