Compound Identification
SMILES
ClC1=CC=CC=C1N1CCN(CC1)S(=O)(=O)C1=C2C=CC=C3C(=O)NC(C=C1)=C23
InChIKey
InChIKey=FEGJADGZXVQMJF-UHFFFAOYSA-N
Formula
C21H18ClN3O3S
Mass
427.9
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 Phenylpiperazines N-arylpiperazines Isoindolones Indoles and derivatives Aniline and substituted anilines Dialkylarylamines Chlorobenzenes Organosulfonamides Aryl chlorides Sulfonyls Secondary carboxylic acid amides Amino acids and derivatives Lactams Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-naphthalene sulfonamide - Naphthalene sulfonamide - 1-naphthalene sulfonic acid or derivatives - Phenylpiperazine - N-arylpiperazine - Isoindolone - Indole or derivatives - Isoindole or derivatives - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Organosulfonic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Lactam - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Amine - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - 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