Compound Identification
SMILES
BrC1=CC=C(C=C1)S(=O)(=O)C1=C(OC(=N1)C1=CC=CS1)SCC(=O)NCC1CCCO1
InChIKey
InChIKey=IMDNNWPSACILDY-UHFFFAOYSA-N
Formula
C20H19BrN2O5S3
Mass
543.47
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
2,4,5-trisubstituted oxazoles Alkylarylthioethers Bromobenzenes Aryl bromides Thiophenes Sulfones Oxolanes Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Dialkyl ethers Carbonyl compounds Organonitrogen compounds Organopnictogen compounds Organobromides Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzenesulfonyl group - 2,4,5-trisubstituted 1,3-oxazole - Aryl thioether - Alkylarylthioether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Sulfone - Sulfonyl - Heteroaromatic compound - Oxazole - Azole - Oxolane - Thiophene - Secondary carboxylic acid amide - Carboxamide group - Oxacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Aromatic heteromonocyclic 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