Compound Identification
SMILES
CCNc1nc(SNC(=O)NS(=O)(=O)c2ccccc2C(=O)OCC)nc(n1)N(CC)CC
InChIKey
InChIKey=MKCNTQRMEWSWGC-UHFFFAOYSA-N
Formula
C19H27N7O5S2
Mass
497.59
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acid esters
-
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
Not available
Direct Parent
Benzoic acid esters
Alternative Parents
Benzenesulfonamides N-sulfenyl-N'-sulfonyl-ureas Benzenesulfonyl compounds 1,3,5-triazine-2,4-diamines Benzoyl derivatives Dialkylarylamines N-aliphatic s-triazines 1,3,5-triazines Heteroaromatic compounds Aminosulfonyl compounds Organosulfonic acids and derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Sulfenyl compounds Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzenesulfonamide - N-sulfenyl-np-sulfonyl-urea - Benzoate ester - Benzenesulfonyl group - 2,4-diamine-s-triazine - Benzoyl - Dialkylarylamine - Amino-1,3,5-triazine - Aminotriazine - Sulfonylurea - N-aliphatic s-triazine - Triazine - 1,3,5-triazine - Sulfonyl - Organosulfonic acid or derivatives - Aminosulfonyl compound - Organic sulfonic acid or derivatives - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Sulfenyl compound - Organic oxygen compound - Organic nitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organopnictogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
External Descriptors
Not available