Compound Identification
SMILES
OS(=O)(=O)C1=CC2=CC=CC=C2C=C1.CC(=O)N1CC2=NC(=NC=C2C1=O)N1CCNCC1
InChIKey
InChIKey=NDSUKPSKFYJSTQ-UHFFFAOYSA-N
Formula
C22H23N5O5S
Mass
469.52
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Naphthalenes
-
Subclass
Naphthalene sulfonic acids and derivatives
-
Level 5
Naphthalene sulfonates
- Level 6 2-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
2-naphthalene sulfonates
Alternative Parents
2-naphthalene sulfonic acids and derivatives N-arylpiperazines 1-sulfo,2-unsubstituted aromatic compounds Dialkylarylamines Aminopyrimidines and derivatives N-substituted carboxylic acid imides Heteroaromatic compounds Dicarboximides Sulfonyls Acetamides Organosulfonic acids Amino acids and derivatives Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
2-naphthalene sulfonate - 2-naphthalene sulfonic acid or derivatives - N-arylpiperazine - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Dialkylarylamine - Aminopyrimidine - Piperazine - Pyrimidine - Carboxylic acid imide, n-substituted - 1,4-diazinane - Carboxylic acid imide - Dicarboximide - Acetamide - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Amino acid or derivatives - Carboxylic acid derivative - Secondary aliphatic amine - Azacycle - Organoheterocyclic compound - Secondary amine - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Carbonyl group - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 2-naphthalene sulfonates. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group at the 2-position. Naphthalene is a bicyclic compound that is made up of two fused benzene ring.
External Descriptors
Not available