Compound Identification
SMILES
FC1=CC(F)=C(C=C1)[C@]1(CN2C=NC=N2)CC[C@@H](COS(=O)(=O)C2=CC=C(Br)C=C2)O1
InChIKey
InChIKey=RLUIUDYFHACCHD-OXJNMPFZSA-N
Formula
C20H18BrF2N3O4S
Mass
514.34
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzenesulfonic acids and derivatives
- Level 5 Benzenesulfonate esters
-
Subclass
Benzenesulfonic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzenesulfonic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzenesulfonate esters
Alternative Parents
Arylsulfonic acids and derivatives Benzenesulfonyl compounds Fluorobenzenes Bromobenzenes Organosulfonic acid esters Aryl bromides Aryl fluorides Triazoles Sulfonyls Oxolanes Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Dialkyl ethers Hydrocarbon derivatives Organic oxides Organobromides Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzenesulfonate ester - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Halobenzene - Fluorobenzene - Bromobenzene - Organosulfonic acid ester - Aryl bromide - Aryl fluoride - Aryl halide - Heteroaromatic compound - Azole - Organic sulfonic acid or derivatives - Oxolane - 1,2,4-triazole - Sulfonyl - Organosulfonic acid or derivatives - Oxacycle - Azacycle - Dialkyl ether - Ether - Organoheterocyclic compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organobromide - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzenesulfonate esters. These are arenesulfonate esters that result from the formal condensation of the hydroxy group of an alcohol, enol, phenol or heteroarenol with benzenesulfonic acid.
External Descriptors
Not available