Compound Identification
SMILES
CC1=CC=C(C=C1)S(=O)(=O)C[C@@H]1[C@@H](CCl)CN(CC2=CC=CC=C2)C1=O
InChIKey
InChIKey=KQFHCQZVRZJOLY-PKOBYXMFSA-N
Formula
C20H22ClNO3S
Mass
391.91
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 Pyrrolidine-2-ones N-alkylpyrrolidines Tertiary carboxylic acid amides Sulfones Lactams Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Tosyl compound - Benzenesulfonyl group - Pyrrolidone - 2-pyrrolidone - N-alkylpyrrolidine - Pyrrolidine - Sulfone - Tertiary carboxylic acid amide - Sulfonyl - Carboxamide group - Lactam - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Carbonyl group - Alkyl chloride - Alkyl halide - 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