Compound Identification
SMILES
CN(C(CN1CCN(CC1)C1=CC=CC=C1)CC1=CC=C(OS(=O)(=O)C2=CC=CC3=CC=CC=C23)C=C1)S(=O)(=O)C1=CC=CC2=CC=CC=C12
InChIKey
InChIKey=IJHHPBJYJDQODX-UHFFFAOYSA-N
Formula
C40H39N3O5S2
Mass
705.89
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Naphthalenes
-
Subclass
Naphthalene sulfonic acids and derivatives
-
Level 5
Naphthalene sulfonates
- Level 6 1-naphthalene sulfonates
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Level 5
Naphthalene sulfonates
-
Subclass
Naphthalene sulfonic acids and derivatives
-
Class
Naphthalenes
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Naphthalenes
Subclass
Naphthalene sulfonic acids and derivatives
Intermediate Tree Nodes
Naphthalene sulfonates
Direct Parent
1-naphthalene sulfonates
Alternative Parents
1-naphthalene sulfonamides 1-naphthalene sulfonic acids and derivatives Phenylpiperazines N-arylpiperazines Amphetamines and derivatives Arylsulfonic acids and derivatives Phenoxy compounds Dialkylarylamines Aniline and substituted anilines N-alkylpiperazines Aralkylamines Organosulfonic acid esters Organosulfonamides Aminosulfonyl compounds Trialkylamines Azacyclic compounds Hydrocarbon derivatives Organic oxides Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-naphthalene sulfonamide - Naphthalene sulfonamide - 1-naphthalene sulfonate - 1-naphthalene sulfonic acid or derivatives - Phenylpiperazine - N-arylpiperazine - Amphetamine or derivatives - Arylsulfonic acid or derivatives - Phenoxy compound - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - N-alkylpiperazine - Aralkylamine - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Organosulfonic acid amide - Organosulfonic acid ester - Aminosulfonyl compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Tertiary aliphatic amine - Tertiary amine - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Amine - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1-naphthalene sulfonates. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group at the 1-position. Naphthalene is a bicyclic compound that is made up of two fused benzene ring.
External Descriptors
Not available