Compound Identification
SMILES
BrC1=CC2=C(NC(=O)[C@@H]3C[C@H](CCN3C2=O)NC(=O)CS(=O)(=O)C2=CC=CC=C2)C=C1
InChIKey
InChIKey=WYGAEOFSYCGARZ-KSSFIOAISA-N
Formula
C21H20BrN3O5S
Mass
506.37
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Benzodiazepines
- Subclass 1,4-benzodiazepines
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Class
Benzodiazepines
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzodiazepines
Subclass
1,4-benzodiazepines
Intermediate Tree Nodes
Not available
Direct Parent
1,4-benzodiazepines
Alternative Parents
Alpha amino acids and derivatives Benzenesulfonyl compounds Piperidines Aryl bromides Vinylogous amides Tertiary carboxylic acid amides Sulfones Secondary carboxylic acid amides Lactams Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,4-benzodiazepine - Alpha-amino acid or derivatives - Benzenesulfonyl group - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Piperidine - Benzenoid - Tertiary carboxylic acid amide - Sulfonyl - Sulfone - Vinylogous amide - Secondary carboxylic acid amide - Carboxamide group - Lactam - Azacycle - Carboxylic acid derivative - Organic oxide - Organobromide - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1,4-benzodiazepines. These are organic compounds containing a benzene ring fused to a 1,4-azepine.
External Descriptors
Not available