Compound Identification
SMILES
CC1=CC=C(C=C1)S(=O)(=O)C1=C(OC(=N1)C1=CC=CS1)SCC(=O)NCC1CCCO1
InChIKey
InChIKey=RPUXSZPDAABDOR-UHFFFAOYSA-N
Formula
C21H22N2O5S3
Mass
478.6
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Toluenes
- Level 5 Tosyl compounds
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Subclass
Toluenes
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Toluenes
Intermediate Tree Nodes
Not available
Direct Parent
Tosyl compounds
Alternative Parents
Benzenesulfonyl compounds 2,4,5-trisubstituted oxazoles Alkylarylthioethers Thiophenes Sulfones Oxolanes Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Dialkyl ethers Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Tosyl compound - Benzenesulfonyl group - 2,4,5-trisubstituted 1,3-oxazole - Aryl thioether - Alkylarylthioether - Azole - Oxazole - Oxolane - Heteroaromatic compound - Sulfone - Sulfonyl - Thiophene - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Thioether - Sulfenyl compound - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as tosyl compounds. These are organosulfur compounds containing a tosyl group, with the general formula CH3C6H4S(O2)R (R = any atom).
External Descriptors
Not available