Compound Identification
SMILES
CC1=CC=C(C=C1)S(O)(=O)=O.CCCCCC\C=N\NC(=O)C1=C[N+](C)=CC=C1
InChIKey
InChIKey=IXNAZAGVZMQTRR-GYVLLFFHSA-O
Formula
C21H30N3O4S
Mass
420.55
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
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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 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Nicotinamides N-methylpyridinium compounds Pyridinium derivatives Vinylogous amides Sulfonyls Heteroaromatic compounds Organosulfonic acids Carboxylic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organooxygen compounds Organic oxides Organonitrogen compounds Organic cations
Molecular Framework
Not available
Substituents
P-methylbenzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - Nicotinamide - Pyridine carboxylic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Benzenesulfonyl group - N-methylpyridinium - Toluene - Pyridine - Pyridinium - Vinylogous amide - Heteroaromatic compound - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic cation - Aromatic heteromonocyclic 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