Compound Identification
SMILES
COC1=C(NS(=O)(=O)C2=CC=CC3=CC=CC=C23)C=C(C=C1)N1C[C@H](C)N[C@H](C)C1
InChIKey
InChIKey=KGGJPMYLACRFMM-CALCHBBNSA-N
Formula
C23H27N3O3S
Mass
425.55
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 Phenylpiperazines N-arylpiperazines Sulfanilides Methoxyanilines Aminophenyl ethers Phenoxy compounds Methoxybenzenes Dialkylarylamines Anisoles Alkyl aryl ethers Organosulfonamides Aminosulfonyl compounds Dialkylamines Azacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-naphthalene sulfonamide - Naphthalene sulfonamide - 1-naphthalene sulfonic acid or derivatives - N-arylpiperazine - Phenylpiperazine - Sulfanilide - Aminophenyl ether - Methoxyaniline - Tertiary aliphatic/aromatic amine - Phenoxy compound - Anisole - Phenol ether - Dialkylarylamine - Methoxybenzene - Aniline or substituted anilines - Alkyl aryl ether - 1,4-diazinane - Piperazine - Organosulfonic acid amide - Monocyclic benzene moiety - Aminosulfonyl compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Tertiary amine - Secondary amine - Organoheterocyclic compound - Azacycle - Ether - Secondary aliphatic amine - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Amine - 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