Compound Identification
SMILES
COC(=O)C1=CC(=CC(NC2=C(N)C(NNS(=O)(=O)C3=CC=C(C)C=C3)=NC=N2)=C1)C(=O)OC
InChIKey
InChIKey=WOLNLPPGFVTXFE-UHFFFAOYSA-N
Formula
C21H22N6O6S
Mass
486.5
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
Level 5
Phthalic acid and derivatives
-
Level 6
Phthalate esters
- Level 7 m-Phthalate esters
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Level 6
Phthalate esters
-
Level 5
Phthalic acid and derivatives
-
Subclass
Benzoic acids and derivatives
-
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
Phthalic acid and derivatives - Phthalate esters
Direct Parent
m-Phthalate esters
Alternative Parents
M-phthalic acid and derivatives Tosyl compounds Aminobenzoic acids and derivatives Benzenesulfonamides Benzoic acid esters Benzenesulfonyl compounds Aniline and substituted anilines Benzoyl derivatives Aminopyrimidines and derivatives Sulfonohydrazides Imidolactams Hydrazinosulfonyl compounds Methyl esters Heteroaromatic compounds Amino acids and derivatives Azacyclic compounds Secondary amines Organic oxides Organooxygen compounds Primary amines Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Meta-phthalic acid ester - Meta_phthalic_acid - Aminobenzoic acid or derivatives - Benzenesulfonamide - Benzoate ester - Tosyl compound - Benzenesulfonyl group - Benzoyl - Aniline or substituted anilines - Aminopyrimidine - Toluene - Pyrimidine - Imidolactam - Sulfonohydrazide - Hydrazinosulfonyl compound - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Methyl ester - Sulfonyl - Carboxylic acid ester - Amino acid or derivatives - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Secondary amine - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as m-phthalate esters. These are ester derivatives of m-phthalic acids, which are based on a benzene 1,3-dicarboxylic acid skeleton.
External Descriptors
Not available