Compound Identification
SMILES
COC(=O)C1C2CCC(CC1C1=CC=C(I)C=C1)N2CCCOS(C)(=O)=O
InChIKey
InChIKey=SHWAZDVCGJVDIW-UHFFFAOYSA-N
Formula
C19H26INO5S
Mass
507.38
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
-
Class
Tropane alkaloids
- Subclass Phenyltropanes
-
Class
Tropane alkaloids
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Tropane alkaloids
Subclass
Phenyltropanes
Intermediate Tree Nodes
Not available
Direct Parent
Phenyltropanes
Alternative Parents
Phenylpiperidines Piperidinecarboxylic acids Aralkylamines Iodobenzenes Aryl iodides N-alkylpyrrolidines Organosulfonic acid esters Sulfonic acid esters Methyl esters Methanesulfonates Sulfonyls Trialkylamines Amino acids and derivatives Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organoiodides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenyltropane - Phenylpiperidine - Piperidinecarboxylic acid - Halobenzene - Iodobenzene - Aralkylamine - Aryl halide - Aryl iodide - Benzenoid - N-alkylpyrrolidine - Monocyclic benzene moiety - Organosulfonic acid ester - Sulfonic acid ester - Piperidine - Methyl ester - Methanesulfonate - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Pyrrolidine - Tertiary aliphatic amine - Carboxylic acid ester - Amino acid or derivatives - Tertiary amine - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Organosulfur compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organic oxide - Organopnictogen compound - Organohalogen compound - Organoiodide - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenyltropanes. These are compounds containing a phenyl group linked to a tropane moiety. Tropane is an organonitrogenous [3.2.1] bicyclic organic compound.
External Descriptors
Not available