Compound Identification
SMILES
NS(=O)(=O)C1=CC=C(CNC2=C(C=C(C=C2)S(=O)(=O)NC2=CC=C(Br)C=C2)[N+]([O-])=O)C=C1
InChIKey
InChIKey=ZHSKQTYHLUAYPQ-UHFFFAOYSA-N
Formula
C19H17BrN4O6S2
Mass
541.39
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Phenylmethylamines
- Level 5 Phenylbenzamines
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Subclass
Phenylmethylamines
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Class
Benzene and substituted derivatives
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Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenylmethylamines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylbenzamines
Alternative Parents
Aminobenzenesulfonamides Sulfanilides Benzenesulfonyl compounds Nitrobenzenes Phenylalkylamines Aniline and substituted anilines Benzylamines Nitroaromatic compounds Secondary alkylarylamines Bromobenzenes Organosulfonamides Aryl bromides Aminosulfonyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic salts Organic zwitterions Organobromides Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenylbenzamine - Aminobenzenesulfonamide - Benzenesulfonamide - Sulfanilide - Nitrobenzene - Benzenesulfonyl group - Nitroaromatic compound - Benzylamine - Aniline or substituted anilines - Phenylalkylamine - Aralkylamine - Bromobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Aryl bromide - Aryl halide - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Secondary amine - Organic oxoazanium - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organic salt - Organic nitrogen compound - Amine - Organobromide - Organonitrogen compound - Organosulfur compound - Organic zwitterion - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylbenzamines. These are aromatic compounds consisting of a benzyl group that is N-linked to a benzamine.
External Descriptors
Not available