Compound Identification
SMILES
CNCCNC1=CC=CC2=C1C=CC=C2S([N])(=O)=O
InChIKey
InChIKey=MQMOAJHCEBZYBB-UHFFFAOYSA-N
Formula
C13H15N3O2S
Mass
277.34
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
Secondary alkylarylamines Sulfonyls Sulfonylnitrenes Organosulfonic acids and derivatives Dialkylamines Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
1-naphthalene sulfonic acid or derivatives - Secondary aliphatic/aromatic amine - Organic sulfonic acid or derivatives - Sulfonylnitrene - Sulfonyl - Organosulfonic acid or derivatives - Secondary aliphatic amine - Secondary amine - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organosulfur compound - Organonitrogen compound - Organic nitrogen compound - Aromatic homopolycyclic 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