Compound Identification
SMILES
OCC1=NC=CC(=C1)C1=CC=C(C=C1)C(=O)N1CCN(CC1)S(=O)(=O)C1=CC2=C(C=C1)C=C(Cl)C=C2
InChIKey
InChIKey=AFOCODNHTMRIFV-UHFFFAOYSA-N
Formula
C27H24ClN3O4S
Mass
522.02
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 Phenylpyridines Chloronaphthalenes Benzamides Benzoyl derivatives Aryl chlorides Piperazines Organosulfonamides Heteroaromatic compounds Sulfonyls Tertiary carboxylic acid amides Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Aromatic alcohols Primary alcohols Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-naphthalene sulfonamide - Naphthalene sulfonamide - 2-naphthalene sulfonic acid or derivatives - 4-phenylpyridine - Chloronaphthalene - Benzamide - Benzoic acid or derivatives - Benzoyl - Aryl chloride - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Pyridine - Organosulfonic acid amide - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Tertiary carboxylic acid amide - Sulfonyl - Carboxamide group - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organic oxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organooxygen compound - Organosulfur compound - Organopnictogen compound - Organic oxide - Organic nitrogen compound - Aromatic alcohol - Hydrocarbon derivative - Primary alcohol - Alcohol - 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