Compound Identification
SMILES
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC1=CC=CC=C1\C=C1\SC(=S)NC1=O
InChIKey
InChIKey=DRBKYYJNYGVCJZ-MHWRWJLKSA-N
Formula
C18H14N2O5S3
Mass
434.5
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzenesulfonic acids and derivatives
- Level 5 Benzenesulfonate esters
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Subclass
Benzenesulfonic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzenesulfonic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzenesulfonate esters
Alternative Parents
Acetanilides N-acetylarylamines Benzenesulfonyl compounds Arylsulfonic acids and derivatives Phenoxy compounds Thiazolidinethiones Organosulfonic acid esters Sulfonyls Cyclic dithiocarbamic acid esters Acetamides Secondary carboxylic acid amides Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzenesulfonate ester - Acetanilide - Arylsulfonic acid or derivatives - N-acetylarylamine - Benzenesulfonyl group - Anilide - Phenoxy compound - N-arylamide - Organosulfonic acid ester - Thiazolidinethione - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Cyclic dithiocarbamic acid ester - Sulfonyl - Thiazolidine - Dithiocarbamic acid ester - Acetamide - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzenesulfonate esters. These are arenesulfonate esters that result from the formal condensation of the hydroxy group of an alcohol, enol, phenol or heteroarenol with benzenesulfonic acid.
External Descriptors
Not available