Compound Identification
SMILES
CC1=CC=C(C=C1)S(=O)(=O)O[C@@H]1C[C@@H]2N(C1)C(=O)C1=CC=CC=C1N=C2NC1CCCC1
InChIKey
InChIKey=WOMRHBRERIVXGV-GCJKJVERSA-N
Formula
C24H27N3O4S
Mass
453.56
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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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
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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
p-Methylbenzenesulfonates 1,4-benzodiazepines Tosyl compounds Arylsulfonic acids and derivatives Benzenesulfonyl compounds Imidolactams Organosulfonic acid esters Tertiary carboxylic acid amides Sulfonyls Pyrrolidines Lactams Propargyl-type 1,3-dipolar organic compounds Carboxamidines Azacyclic compounds Hydrocarbon derivatives Amines Organic oxides Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodiazepine - Benzenesulfonate ester - 1,4-benzodiazepine - P-methylbenzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Toluene - Organosulfonic acid ester - Imidolactam - Pyrrolidine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Tertiary carboxylic acid amide - Carboxamide group - Lactam - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Amidine - Carboxylic acid amidine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Amine - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic 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