Compound Identification
SMILES
NC(C(=O)C1=CC2=C(OC(C2)C([O-])=O)C=C1)S(=O)(=O)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=KSPNTAKONKNXQQ-UHFFFAOYSA-M
Formula
C17H13ClNO6S
Mass
394.8
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzenesulfonyl compounds
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzenesulfonyl compounds
Intermediate Tree Nodes
Not available
Direct Parent
Benzenesulfonyl compounds
Alternative Parents
Coumarans Aryl alkyl ketones Alkyl aryl ethers Chlorobenzenes Aryl chlorides Sulfones Carboxylic acid salts Oxacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Aldehydes Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds Organopnictogen compounds Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzenesulfonyl group - Coumaran - Aryl alkyl ketone - Aryl ketone - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Sulfone - Sulfonyl - Carboxylic acid salt - Ketone - Carboxylic acid derivative - Carboxylic acid - Ether - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Aldehyde - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic anion - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzenesulfonyl compounds. These are aromatic compounds containing a benzenesulfonyl group, which consists of a monocyclic benzene moiety that carries a sulfonyl group.
External Descriptors
Not available