Compound Identification
SMILES
COC1=CC=CC=C1\C=C\C1=NN(C2=CC(=CC=C2)S(O)(=O)=O)C2(C1)SCC(=O)N2C1=NC2=CC=CC=C2S1
InChIKey
InChIKey=KPDUVHYUFMBOCS-BUHFOSPRSA-N
Formula
C27H22N4O5S3
Mass
578.68
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzenesulfonic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzenesulfonic acids and derivatives
Alternative Parents
1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Benzothiazoles Anisoles Methoxybenzenes Phenoxy compounds Styrenes Alkyl aryl ethers Organosulfonic acids Heteroaromatic compounds Tertiary carboxylic acid amides Thiazoles Thiazolidines Pyrazolines Sulfonyls N-alkylated hydrazones Lactams Dialkylthioethers Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzenesulfonate - 1-sulfo,2-unsubstituted aromatic compound - 1,3-benzothiazole - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Styrene - Phenoxy compound - Phenol ether - Methoxybenzene - Anisole - Alkyl aryl ether - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Pyrazoline - Thiazolidine - Thiazole - Tertiary carboxylic acid amide - Organosulfonic acid - Heteroaromatic compound - Sulfonyl - Azole - Lactam - N-alkylated hydrazone - Carboxamide group - Azacycle - Carboxylic acid derivative - Ether - Hydrazone - Organoheterocyclic compound - Dialkylthioether - Thioether - Organic oxygen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Carbonyl group - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzenesulfonic acids and derivatives. These are organic compounds containing a sulfonic acid or a derivative thereof that is linked to a benzene ring.
External Descriptors
Not available