Compound Identification
SMILES
CC1=CC=C(C=C1)S(O)(=O)=O.CCC1=C2C(SC=C2C2CCNCC2)=CC=C1
InChIKey
InChIKey=RAXALUUFGCQQJF-UHFFFAOYSA-N
Formula
C22H27NO3S2
Mass
417.58
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzenesulfonic acids and derivatives
- Level 5 p-Methylbenzenesulfonates
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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
p-Methylbenzenesulfonates
Alternative Parents
Tosyl compounds Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds 1-benzothiophenes Aralkylamines Piperidines Thiophenes Sulfonyls Organosulfonic acids Heteroaromatic compounds Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
P-methylbenzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - Benzothiophene - 1-benzothiophene - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Toluene - Aralkylamine - Piperidine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Thiophene - Heteroaromatic compound - Organoheterocyclic compound - Secondary amine - Secondary aliphatic amine - Azacycle - Organic nitrogen compound - Amine - Organosulfur compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - 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