Compound Identification
SMILES
NC(N)=NC1=CC=C(C=C1)C(=O)NC1CCN(C1)S(=O)(=O)\C=C\C1=CC=C(Cl)C=C1
InChIKey
InChIKey=OAROOYKYSGISSC-ZRDIBKRKSA-N
Formula
C20H22ClN5O3S
Mass
447.94
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Aminobenzoic acids and derivatives
Direct Parent
Guanidinobenzoic acids and derivatives
Alternative Parents
Benzamides Styrenes Benzoyl derivatives Chlorobenzenes Aryl chlorides Organic sulfonamides Organosulfonamides Pyrrolidines Sulfonyls Guanidines Secondary carboxylic acid amides Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organochlorides Organic oxides Hydrocarbon derivatives Organooxygen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Guanidinobenzoic acid or derivatives - Benzamide - Benzoyl - Styrene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Organosulfonic acid amide - Organic sulfonic acid amide - Pyrrolidine - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxamide group - Guanidine - Secondary carboxylic acid amide - Organic 1,3-dipolar compound - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as guanidinobenzoic acids and derivatives. These are aromatic compounds containing a guanidine group linked to the benzene ring of a benzoic acid (or a derivative thereof).
External Descriptors
Not available