Compound Identification
SMILES
C[C@@H]1CN(CC2=CC=C(Cl)C=C2)CCN1C(=O)COC1=NC=C(Br)C=C1CCS(O)(=O)=O
InChIKey
InChIKey=XQIDJGWXHBKIRZ-OAHLLOKOSA-N
Formula
C21H25BrClN3O5S
Mass
546.86
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Phenylmethylamines
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenylmethylamines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylmethylamines
Alternative Parents
Benzylamines Alkyl aryl ethers Aralkylamines Chlorobenzenes N-alkylpiperazines Aryl bromides Pyridines and derivatives Aryl chlorides Alkanesulfonic acids Tertiary carboxylic acid amides Sulfonyls Organosulfonic acids Heteroaromatic compounds Trialkylamines Amino acids and derivatives Azacyclic compounds Organochlorides Carbonyl compounds Organobromides Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylmethylamine - Benzylamine - Alkyl aryl ether - Halobenzene - Chlorobenzene - N-alkylpiperazine - Aralkylamine - 1,4-diazinane - Aryl bromide - Aryl chloride - Piperazine - Pyridine - Aryl halide - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Tertiary carboxylic acid amide - Alkanesulfonic acid - Heteroaromatic compound - Amino acid or derivatives - Tertiary amine - Tertiary aliphatic amine - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organosulfur compound - Carbonyl group - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organochloride - Organohalogen compound - Organobromide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine.
External Descriptors
Not available