Compound Identification
SMILES
CC1=CC=C(C=C1)S([O-])(=O)=O.CCCCCC[C@@H]1[C@@H](O)C[N+]2=C3N1C=NC3=C(N)N=C2
InChIKey
InChIKey=WCQHJAUSQOYBCU-DHXVBOOMSA-N
Formula
C21H29N5O4S
Mass
447.55
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 p-Methylbenzenesulfonates
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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
p-Methylbenzenesulfonates
Alternative Parents
Tosyl compounds 6-aminopurines 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Aminopyrimidines and derivatives Imidolactams N-substituted imidazoles Sulfonyls Heteroaromatic compounds Organosulfonic acids Secondary alcohols Azacyclic compounds Hydrocarbon derivatives Primary amines Organic oxides Organic cations
Molecular Framework
Not available
Substituents
P-methylbenzenesulfonate - 6-aminopurine - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Imidazopyrimidine - Purine - 1-sulfo,2-unsubstituted aromatic compound - Aminopyrimidine - Toluene - N-substituted imidazole - Pyrimidine - Imidolactam - Azole - Imidazole - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Secondary alcohol - Azacycle - Organoheterocyclic compound - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Amine - Hydrocarbon derivative - Alcohol - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as p-methylbenzenesulfonates. These are benzenesulfonic acids (or derivative thereof) carrying a methyl group at the para- position.
External Descriptors
Not available