Compound Identification
SMILES
OC1=C(O)C=C(\C=C\C(=O)NC2=CC=CC3=C2C=CC=C3S(=O)(=O)NC2=CC=C(Br)C=C2)C=C1
InChIKey
InChIKey=XQNRJMBAAHCVKR-RIYZIHGNSA-N
Formula
C25H19BrN2O5S
Mass
539.4
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 Hydroxycinnamic acids and derivatives Cinnamic acid amides Sulfanilides Styrenes N-arylamides Catechols 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Bromobenzenes Organosulfonamides Aryl bromides Aminosulfonyl compounds Secondary carboxylic acid amides Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
1-naphthalene sulfonamide - Naphthalene sulfonamide - 1-naphthalene sulfonic acid or derivatives - Cinnamic acid amide - Cinnamic acid or derivatives - Hydroxycinnamic acid or derivatives - Sulfanilide - Catechol - Styrene - N-arylamide - Phenol - Bromobenzene - 1-hydroxy-4-unsubstituted benzenoid - Halobenzene - 1-hydroxy-2-unsubstituted benzenoid - Organosulfonic acid amide - Aryl halide - Aryl bromide - Monocyclic benzene moiety - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxide - Carbonyl group - Organosulfur compound - Hydrocarbon derivative - Organic oxygen compound - Organobromide - Organohalogen compound - Aromatic homopolycyclic 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