Compound Identification
SMILES
O[C@@H](CNC[C@H]1CCC2=C(O1)C=CC(=C2)S(O)(=O)=O)C1=CC=CC=C1
InChIKey
InChIKey=MSYTUYUQJULOHK-WBVHZDCISA-N
Formula
C18H21NO5S
Mass
363.43
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzopyrans
- Subclass 1-benzopyrans
-
Class
Benzopyrans
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzopyrans
Subclass
1-benzopyrans
Intermediate Tree Nodes
Not available
Direct Parent
1-benzopyrans
Alternative Parents
1-sulfo,2-unsubstituted aromatic compounds Aralkylamines Alkyl aryl ethers Benzene and substituted derivatives Sulfonyls Organosulfonic acids Secondary alcohols 1,2-aminoalcohols Oxacyclic compounds Dialkylamines Organic oxides Hydrocarbon derivatives Aromatic alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-benzopyran - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Secondary alcohol - 1,2-aminoalcohol - Oxacycle - Secondary aliphatic amine - Ether - Secondary amine - Organooxygen compound - Organonitrogen compound - Aromatic alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organosulfur compound - Organic nitrogen compound - Amine - Alcohol - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1-benzopyrans. These are organic aromatic compounds that 1-benzopyran, a bicyclic compound made up of a benzene ring fused to a pyran, so that the oxygen atom is at the 1-position.
External Descriptors
Not available