Compound Identification
SMILES
CC(O)(CSC1=NC=CS1)C(=O)OS(=O)(=O)C1=CC=C(NCC(=O)C2=CC=C(Cl)C=C2)C=C1
InChIKey
InChIKey=AXJBOPMDIRYSHE-UHFFFAOYSA-N
Formula
C21H19ClN2O6S3
Mass
527.02
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
-
Level 6
Aryl ketones
-
Level 7
Phenylketones
- Level 8 Alkyl-phenylketones
-
Level 7
Phenylketones
-
Level 6
Aryl ketones
-
Level 5
Ketones
-
Subclass
Carbonyl compounds
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Ketones - Aryl ketones - Phenylketones
Direct Parent
Alkyl-phenylketones
Alternative Parents
Benzenesulfonate esters Arylsulfonic acids and derivatives Benzenesulfonyl compounds Aniline and substituted anilines Aryl alkyl ketones Phenylalkylamines Benzoyl derivatives Alkylarylthioethers Secondary alkylarylamines Chlorobenzenes Aryl chlorides Heteroaromatic compounds Sulfonyls Tertiary alcohols Alpha-amino ketones Thiazoles Amino acids and derivatives Monocarboxylic acids and derivatives Azacyclic compounds Sulfenyl compounds Organic oxides Organochlorides Organopnictogen compounds Aldehydes Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Benzenesulfonate ester - Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Benzoyl - Aryl thioether - Aryl alkyl ketone - Aniline or substituted anilines - Phenylalkylamine - Halobenzene - Secondary aliphatic/aromatic amine - Alkylarylthioether - Chlorobenzene - Aryl chloride - Benzenoid - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Azole - Thiazole - Tertiary alcohol - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Alpha-aminoketone - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Carboxylic acid derivative - Secondary amine - Monocarboxylic acid or derivatives - Alcohol - Amine - Aldehyde - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organopnictogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
External Descriptors
Not available