Compound Identification
SMILES
CC(C)NCCNC1=CC=C(C=C1)S(=O)(=O)OC1=CC2=C(C=C1)N=C(NC(=O)CCCCCCCN)S2
InChIKey
InChIKey=UEDZGXKLKSJCKJ-UHFFFAOYSA-N
Formula
C26H37N5O4S2
Mass
547.73
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
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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
Arylsulfonic acids and derivatives Benzenesulfonyl compounds Benzothiazoles Aniline and substituted anilines N-arylamides Phenylalkylamines Secondary alkylarylamines Fatty amides Organosulfonic acid esters Heteroaromatic compounds Sulfonyls Thiazoles Amino acids and derivatives Secondary carboxylic acid amides Dialkylamines Azacyclic compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzenesulfonate ester - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1,3-benzothiazole - N-arylamide - Aniline or substituted anilines - Phenylalkylamine - Secondary aliphatic/aromatic amine - Organosulfonic acid ester - Fatty acyl - Fatty amide - Sulfonyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Thiazole - Heteroaromatic compound - Azole - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Secondary amine - Carboxylic acid derivative - Secondary aliphatic amine - Primary amine - Primary aliphatic amine - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Amine - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organosulfur 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