Compound Identification
SMILES
NC(N)=NC1=CC=C(C=C1)C(=O)N(CC1=CC=C(C=C1)C(=O)NCC(O)=O)C1CCN(C1)S(=O)(=O)\C=C\C1=CC=C(Cl)C=C1
InChIKey
InChIKey=SKNWQIAHCVXAEO-JQIJEIRASA-N
Formula
C30H31ClN6O6S
Mass
639.12
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
Hippuric acids N-acyl-alpha amino acids Benzoyl derivatives Styrenes Chlorobenzenes Organosulfonamides Organic sulfonamides Aryl chlorides Sulfonyls Tertiary carboxylic acid amides Pyrrolidines Secondary carboxylic acid amides Guanidines Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Guanidinobenzoic acid or derivatives - Hippuric acid or derivatives - Hippuric acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Benzamide - Benzoyl - Styrene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Organosulfonic acid amide - Organic sulfonic acid amide - Pyrrolidine - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfonyl - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Carboxamide group - Guanidine - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Azacycle - Organosulfur compound - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen 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