Compound Identification
SMILES
CC1=C(C=C(Cl)C=C1)[NH+]1CCN(CC1)S(=O)(=O)C1=CC2=CC=CC=C2C=C1
InChIKey
InChIKey=KPBRZGKBOOYOSS-UHFFFAOYSA-O
Formula
C21H22ClN2O2S
Mass
401.93
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
2-naphthalene sulfonic acids and derivatives
Alternative Parents
2-naphthalene sulfonamides Phenylpiperazines N-arylpiperazines Aniline and substituted anilines Aminotoluenes Chlorobenzenes Organosulfonamides Aryl chlorides Sulfonyls Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Amines Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-naphthalene sulfonamide - Naphthalene sulfonamide - 2-naphthalene sulfonic acid or derivatives - N-arylpiperazine - Phenylpiperazine - Aniline or substituted anilines - Aminotoluene - Halobenzene - Chlorobenzene - Toluene - 1,4-diazinane - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Organosulfonic acid amide - Piperazine - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 2-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 2-position. Naphthalene is a bicyclic compound that is made up of two fused benzene ring.
External Descriptors
Not available