Compound Identification
SMILES
Cl.CN(C1=CC=C(Cl)C=C1)S(=O)(=O)C1=CC=C(N2CCNCC2)C2=CC=CC=C12
InChIKey
InChIKey=LSIGKBJNNAIWQN-UHFFFAOYSA-N
Formula
C21H23Cl2N3O2S
Mass
452.39
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 N-arylpiperazines Sulfanilides Dialkylarylamines Chlorobenzenes Organosulfonamides Aryl chlorides Aminosulfonyl compounds Dialkylamines Azacyclic compounds Organochlorides Organic oxides Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-naphthalene sulfonamide - Naphthalene sulfonamide - 1-naphthalene sulfonic acid or derivatives - N-arylpiperazine - Sulfanilide - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Organosulfonic acid amide - Aminosulfonyl compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Tertiary amine - Secondary amine - Organoheterocyclic compound - Secondary aliphatic amine - Azacycle - Organic nitrogen compound - Organosulfur compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Organic oxide - Hydrochloride - Organic oxygen compound - Hydrocarbon derivative - 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