Basic information
- Standard SMILES
COC(=O)c1cc(NS(=O)(=O)c2ccc(SC)cc2)c(Oc2ccccc2OC)c(OCCOC2CCCCO2)c1- InChIKey
SUFUDPAPUFPLKQ-UHFFFAOYSA-N- Molecular formula
- C29H33NO9S2
- Average molar mass
- 603.7 g/mol
Names & identifiers
- Preferred name
- Methyl 4-(2-methoxy-phenoxy)-3-(4-methylsulphanyl-benzenesulphonylamino)-5-[2-(tetrahydro-pyran-2-yloxy)-ethoxy]-benzoate
- IUPAC
- methyl 4-(2-methoxyphenoxy)-3-[(4-methylsulfanylphenyl)sulfonylamino]-5-[2-(oxan-2-yloxy)ethoxy]benzoate
Names & synonyms
SCHEMBL7568663SUFUDPAPUFPLKQ-UHFFFAOYSA-Nmethyl 4-(2-methoxy-phenoxy)-3-(4-methylsulphanyl-benzenesulphonylamino)-5-[2-(tetrahydro-pyran-2-yloxy)-ethoxy]-benzoate
Database identifiers
- PubChem CID
- 23288593
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 14
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 893
Related reactions
3 records
Compound notes
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