Compound Identification
SMILES
ClC1=CC2=C(C=C1)C=C(C=C2)S(=O)(=O)N1CCN(CC2=CC=C(CN3CCOCC3)C=C2)C(=O)C1
InChIKey
InChIKey=MYHRWTOLXRUSHI-UHFFFAOYSA-N
Formula
C26H28ClN3O4S
Mass
514.04
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 Chloronaphthalenes Alpha amino acids and derivatives Phenylmethylamines Benzylamines Aralkylamines N-alkylpiperazines Aryl chlorides Organosulfonamides Morpholines Tertiary carboxylic acid amides Sulfonyls Lactams Trialkylamines Dialkyl ethers Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organochlorides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-naphthalene sulfonamide - Naphthalene sulfonamide - 2-naphthalene sulfonic acid or derivatives - Chloronaphthalene - Alpha-amino acid or derivatives - Benzylamine - Phenylmethylamine - Aralkylamine - N-alkylpiperazine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - Morpholine - Oxazinane - Organosulfonic acid amide - Piperazine - Tertiary carboxylic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Amino acid or derivatives - Carboxamide group - Lactam - Tertiary aliphatic amine - Tertiary amine - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Organooxygen compound - Organosulfur compound - Amine - Carbonyl group - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organochloride - 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