Compound Identification
SMILES
CCN1NC(C)=C(C(=O)C2=C(Cl)C(OCC3CCO3)=C(C=C2)S(C)(=O)=O)C1=O
InChIKey
InChIKey=BZWCHVFMHXBVED-UHFFFAOYSA-N
Formula
C18H21ClN2O6S
Mass
428.88
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzoyl derivatives
- Level 5 Benzoylpyrazoles
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Subclass
Benzoyl derivatives
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoyl derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzoylpyrazoles
Alternative Parents
Aryl-phenylketones Benzenesulfonyl compounds Phenol ethers Phenoxy compounds Alkyl aryl ethers Chlorobenzenes Aryl chlorides Pyrazolones Sulfones Heteroaromatic compounds Vinylogous amides Vinylogous halides Pyrazoles Oxetanes Lactams Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aryl-phenylketone - Benzoylpyrazole - Benzenesulfonyl group - Aryl ketone - Phenol ether - Phenoxy compound - Alkyl aryl ether - Chlorobenzene - Halobenzene - Pyrazolinone - Aryl halide - Aryl chloride - Azole - Heteroaromatic compound - Vinylogous amide - Vinylogous halide - Pyrazole - Sulfonyl - Sulfone - Ketone - Lactam - Oxetane - Azacycle - Ether - Dialkyl ether - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoylpyrazoles. These are aromatic compounds containing a benzoyl group substituted with a pyrazole ring.
External Descriptors
Not available