Compound Identification
SMILES
CC1=CC=C(C=C1)S(=O)(=O)C1(CC1)C(=O)N1CCN(CC1)C1CCCCC1
InChIKey
InChIKey=GIRSLWKMMKYOFH-UHFFFAOYSA-N
Formula
C21H30N2O3S
Mass
390.54
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Toluenes
- Level 5 Tosyl compounds
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Subclass
Toluenes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Toluenes
Intermediate Tree Nodes
Not available
Direct Parent
Tosyl compounds
Alternative Parents
Benzenesulfonyl compounds N-alkylpiperazines Cyclohexylamines Cyclopropanecarboxylic acids and derivatives Tertiary carboxylic acid amides Sulfones Trialkylamines Amino acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Tosyl compound - Benzenesulfonyl group - Cyclohexylamine - N-alkylpiperazine - Cyclopropanecarboxylic acid or derivatives - 1,4-diazinane - Piperazine - Tertiary carboxylic acid amide - Sulfonyl - Sulfone - Carboxamide group - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organic oxygen compound - Amine - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as tosyl compounds. These are organosulfur compounds containing a tosyl group, with the general formula CH3C6H4S(O2)R (R = any atom).
External Descriptors
Not available