Compound Identification
SMILES
CN(C1CCN(CCC2=CC=CC=C2C(O)=O)CC1)C(=O)[C@@H]1CCCN1S(=O)(=O)C1=CC2=C(C=C1)C(Cl)=CC=C2
InChIKey
InChIKey=IKYQDOYMJKGXGP-NDEPHWFRSA-N
Formula
C30H34ClN3O5S
Mass
584.13
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 Proline and derivatives Alpha amino acid amides Chloronaphthalenes Phenethylamines Benzoic acids Pyrrolidinecarboxamides Benzoyl derivatives Aralkylamines Piperidines Organosulfonamides Aryl chlorides Tertiary carboxylic acid amides Sulfonyls Trialkylamines Amino acids Carboxylic acids Azacyclic compounds Organochlorides Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-naphthalene sulfonamide - Naphthalene sulfonamide - 2-naphthalene sulfonic acid or derivatives - Proline or derivatives - Alpha-amino acid amide - Chloronaphthalene - Alpha-amino acid or derivatives - Benzoic acid or derivatives - Benzoic acid - Phenethylamine - Benzoyl - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - Aralkylamine - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Piperidine - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Pyrrolidine - Organosulfonic acid or derivatives - Sulfonyl - Tertiary carboxylic acid amide - Tertiary aliphatic amine - Amino acid - Amino acid or derivatives - Carboxamide group - Tertiary amine - Organoheterocyclic compound - Azacycle - Carboxylic acid - Carboxylic acid derivative - Amine - Carbonyl group - Organic nitrogen compound - Organohalogen compound - Organic oxide - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxygen compound - 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