Compound Identification
SMILES
CCOC1=C(OC)C=C(C=NNC(=O)CN2CCN(CC2)S(=O)(=O)C2=CC=C(Br)C=C2)C=C1
InChIKey
InChIKey=HXTCIINAQQLECH-UHFFFAOYSA-N
Formula
C22H27BrN4O5S
Mass
539.45
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Diazinanes
-
Subclass
Piperazines
- Level 5 N-piperazineacetamides
-
Subclass
Piperazines
-
Class
Diazinanes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazinanes
Subclass
Piperazines
Intermediate Tree Nodes
Not available
Direct Parent
N-piperazineacetamides
Alternative Parents
Alpha amino acids and derivatives Benzenesulfonamides Benzenesulfonyl compounds Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers N-alkylpiperazines Bromobenzenes Organosulfonamides Aryl bromides Sulfonyls Trialkylamines Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid or derivatives - Benzenesulfonamide - N-piperazineacetamide - Benzenesulfonyl group - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Bromobenzene - Halobenzene - N-alkylpiperazine - Organosulfonic acid amide - Benzenoid - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Azacycle - Carboxylic acid derivative - Ether - Carbonyl group - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organic oxygen compound - Organonitrogen compound - Organosulfur compound - Organooxygen compound - Amine - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-piperazineacetamides. These are heterocyclic compounds containing a piperazine ring, which N-substituted with an acetamide group.
External Descriptors
Not available