Compound Identification
SMILES
CC1=CC=C(C=C1)S(O)(=O)=O.CC1(C)OCC2(CCN(CC2)C2CNC2)O1
InChIKey
InChIKey=GVWPHYWWCLTSLI-UHFFFAOYSA-N
Formula
C19H30N2O5S
Mass
398.52
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 Azaspirodecane derivatives 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Ketals Piperidines 1,3-dioxolanes Sulfonyls Organosulfonic acids Trialkylamines Azetidines Oxacyclic compounds Azacyclic compounds Dialkylamines Organic oxides Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
P-methylbenzenesulfonate - Azaspirodecane - Tosyl compound - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Benzenesulfonyl group - Toluene - Ketal - Piperidine - Sulfonyl - Meta-dioxolane - Organic sulfonic acid or derivatives - Organosulfonic acid - Organosulfonic acid or derivatives - Tertiary amine - Tertiary aliphatic amine - Azetidine - Acetal - Secondary aliphatic amine - Secondary amine - Oxacycle - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Organosulfur compound - Hydrocarbon derivative - Amine - Organic oxygen compound - Organopnictogen 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