Compound Identification
SMILES
[O-][N+](=O)C1=CC=CC=C1S(=O)(=O)N1CC(OCC2=CC=CC=C12)N1C=NC2=C1C(Cl)=NC(Cl)=N2
InChIKey
InChIKey=WJURSTFSYRVEPQ-UHFFFAOYSA-N
Formula
C20H14Cl2N6O5S
Mass
521.33
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzoxazepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzoxazepines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzoxazepines
Alternative Parents
Benzenesulfonamides Purines and purine derivatives Benzenesulfonyl compounds Nitrobenzenes Nitroaromatic compounds 2-halopyrimidines Organosulfonamides Aryl chlorides N-substituted imidazoles Sulfonyls Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organic oxoazanium compounds Organooxygen compounds Hydrocarbon derivatives Organic oxides Organic salts Organochlorides Organonitrogen compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxazepine - Benzenesulfonamide - Benzenesulfonyl group - Imidazopyrimidine - Nitrobenzene - Purine - Nitroaromatic compound - 2-halopyrimidine - Halopyrimidine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - Pyrimidine - Organosulfonic acid amide - Benzenoid - Azole - Heteroaromatic compound - Imidazole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Organic nitro compound - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Oxacycle - Azacycle - Organic 1,3-dipolar compound - Organic oxoazanium - Organosulfur compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organic salt - Organohalogen compound - Hydrocarbon derivative - Organochloride - Organonitrogen compound - Organooxygen compound - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzoxazepines. These are organic compounds containing a benzene fused to an oxazepine ring (a seven-membered ring with four carbon atoms, one oxygen atom, and a nitrogen atom).
External Descriptors
Not available