Compound Identification
SMILES
CC1=CC(F)=C(COC2=NSC(NC(=O)NCCCCN3CCC(O)C3)=C2OC(N)=O)C=C1F
InChIKey
InChIKey=QJAGODXODTUPBK-UHFFFAOYSA-N
Formula
C21H27F2N5O5S
Mass
499.53
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Halobenzenes
- Level 5 Fluorobenzenes
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Subclass
Halobenzenes
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Halobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Fluorobenzenes
Alternative Parents
Alkyl aryl ethers Toluenes Aryl fluorides N-alkylpyrrolidines Carbamate esters Heteroaromatic compounds Thiazoles Trialkylamines Ureas 1,2-aminoalcohols Secondary alcohols Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl aryl ether - Fluorobenzene - Toluene - Aryl fluoride - Aryl halide - N-alkylpyrrolidine - Azole - Pyrrolidine - Thiazole - Heteroaromatic compound - Carbamic acid ester - Tertiary amine - Secondary alcohol - Urea - Tertiary aliphatic amine - 1,2-aminoalcohol - Organoheterocyclic compound - Azacycle - Ether - Amine - Organohalogen compound - Hydrocarbon derivative - Organofluoride - Carbonyl group - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organooxygen compound - Alcohol - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene ring.
External Descriptors
Not available