Compound Identification
SMILES
COC(=O)C1=C(C)N(NC(=O)C2=CC(Cl)=CC=C2)C(C)=C1S(=O)(=O)C1=CC=C(C)C=C1
InChIKey
InChIKey=BGJHTMMBCHHYLH-UHFFFAOYSA-N
Formula
C22H21ClN2O5S
Mass
460.93
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
3-halobenzoic acids and derivatives Benzenesulfonyl compounds Pyrrole carboxylic acids and derivatives Benzoyl derivatives Chlorobenzenes Aryl chlorides Substituted pyrroles Vinylogous amides Sulfones Heteroaromatic compounds Methyl esters Azacyclic compounds Organochlorides Organonitrogen compounds Hydrocarbon derivatives Organooxygen compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Tosyl compound - Benzoic acid or derivatives - Benzenesulfonyl group - Benzoyl - Pyrrole-3-carboxylic acid or derivatives - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Substituted pyrrole - Methyl ester - Sulfonyl - Sulfone - Vinylogous amide - Pyrrole - Heteroaromatic compound - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Organochloride - Organonitrogen compound - Organooxygen 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