Compound Identification
SMILES
OC(=O)C1=C([O-])C=CC(=C1)S(O)(=O)=O.COC1=CC=C(C[N+](C)(C)C2=CC=CC=C2)C=C1
InChIKey
InChIKey=UCRLMOJHWDHPIY-UHFFFAOYSA-M
Formula
C23H25NO7S
Mass
459.51
Taxonomic Classification
Taxonomy Tree
-
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
Sulfosalicylic acids and derivatives 3-sulfobenzoic acids Salicylic acids Benzoic acids Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Phenoxy compounds Methoxybenzenes Benzylamines Benzoyl derivatives Anisoles Aniline and substituted anilines Aralkylamines Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Sulfonyls Organosulfonic acids Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Phenylbenzamine - Sulfosalicylic acid or derivatives - Sulfobenzoic acid - 3-sulfobenzoic acid - Benzenesulfonate - Salicylic acid - Salicylic acid or derivatives - Hydroxybenzoic acid - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Benzoic acid - Benzoic acid or derivatives - Arylsulfonic acid or derivatives - Phenoxy compound - Methoxybenzene - Aniline or substituted anilines - Phenol ether - Benzylamine - Benzoyl - Anisole - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Phenol - Alkyl aryl ether - Vinylogous acid - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organic zwitterion - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Amine - 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