Compound Identification
SMILES
CC1=CC=C(C=C1)S(=O)(=O)C1(CC#CC2=CC(Cl)=CC=C2)SC(=O)NC1=O
InChIKey
InChIKey=QMKHRCILSDRQCT-UHFFFAOYSA-N
Formula
C19H14ClNO4S2
Mass
419.89
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 Thiazolidinediones Dithioketals Chlorobenzenes Aryl chlorides Sulfones Dicarboximides Thiocarbamic acid derivatives Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Tosyl compound - Benzenesulfonyl group - Chlorobenzene - Dithioketal - Halobenzene - Thiazolidinedione - Aryl chloride - Aryl halide - Dicarboximide - Sulfone - Sulfonyl - Thiazolidine - Thiocarbamic acid derivative - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - 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