Compound Identification
SMILES
NC1=C(NC(=O)NCCCCCC#N)C=CC(=C1)S(=O)(=O)OC1=CC=CC=C1
InChIKey
InChIKey=AWCLYPGRJSHWIA-UHFFFAOYSA-N
Formula
C19H22N4O4S
Mass
402.47
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
N-phenylureas Benzenesulfonyl compounds Arylsulfonic acids and derivatives Phenoxy compounds Aniline and substituted anilines Organosulfonic acid esters Sulfonyls Ureas Nitriles Primary amines Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzenesulfonate ester - N-phenylurea - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Phenoxy compound - Aniline or substituted anilines - Organosulfonic acid ester - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Urea - Nitrile - Carbonitrile - Organic nitrogen compound - Cyanide - Amine - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic 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