Basic information
- Standard SMILES
CCCc1cc(S(=O)(=O)NC)ccc1OC(C(=O)OC)c1ccc2c(c1)OCO2- InChIKey
RTKNISGNAWYTCW-UHFFFAOYSA-N- Molecular formula
- C20H23NO7S
- Average molar mass
- 421.5 g/mol
Names & identifiers
- Preferred name
- Methyl alpha-(2-n-propyl-4-methylaminosulfonylphenoxy)-3,4-methylenedioxyphenylacetate
- IUPAC
- methyl 2-(1,3-benzodioxol-5-yl)-2-[4-(methylsulfamoyl)-2-propylphenoxy]acetate
Names & synonyms
SCHEMBL7338422RTKNISGNAWYTCW-UHFFFAOYSA-Nmethyl alpha-(2-n-propyl-4-methylaminosulfonylphenoxy)-3,4-methylenedioxyphenylacetate
Database identifiers
- PubChem CID
- 19080392
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 650
Related reactions
4 records
Compound notes
Loading…