Compound Identification
SMILES
CC1=C(C=CC(NC(=O)OC(C)(C)C)=C1)C(=O)N1CCN(CC1)S(=O)(=O)C1=CC2=C(C=C1)C=C(Cl)C=C2
InChIKey
InChIKey=GSJROMKIMLCBFP-UHFFFAOYSA-N
Formula
C27H30ClN3O5S
Mass
544.06
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 Phenylcarbamic acid esters o-Toluamides Benzamides Benzoyl derivatives Piperazines Aryl chlorides Organosulfonamides Carbamate esters Tertiary carboxylic acid amides Sulfonyls Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-naphthalene sulfonamide - Naphthalene sulfonamide - 2-naphthalene sulfonic acid or derivatives - Chloronaphthalene - Phenylcarbamic acid ester - Benzamide - Benzoic acid or derivatives - Toluamide - O-toluamide - Benzoyl - Toluene - 1,4-diazinane - Aryl halide - Aryl chloride - Organosulfonic acid amide - Monocyclic benzene moiety - Piperazine - Carbamic acid ester - Tertiary carboxylic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organooxygen compound - Organic oxygen compound - Organosulfur compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen 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