Compound Identification
SMILES
FC1=CC=C(NS(=O)(=O)C2=CC=C(N3CCNCC3)C3=CC=CC=C23)C=C1
InChIKey
InChIKey=KOIIVIZFXPUJGA-UHFFFAOYSA-N
Formula
C20H20FN3O2S
Mass
385.46
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 Fluorobenzenes Organosulfonamides Aryl fluorides Aminosulfonyl compounds Dialkylamines Azacyclic compounds Organofluorides Organic oxides 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 - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Organosulfonic acid amide - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Tertiary amine - Secondary aliphatic amine - Secondary amine - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Organohalogen compound - Amine - Organofluoride - Organonitrogen compound - Organic oxygen compound - Organosulfur compound - Organic nitrogen compound - Organic oxide - 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