Basic information
- Standard SMILES
COC(=O)c1cc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c(Oc2cc(OC)ccc2Cl)c(OCCOC2CCCCO2)c1- InChIKey
KNDGPGWRJNOIIW-UHFFFAOYSA-N- Molecular formula
- C32H38ClNO9S
- Average molar mass
- 648.2 g/mol
Names & identifiers
- Preferred name
- Methyl 3-(4-tert-butyl-benzenesulphonylamino)-4-(2-chloro-5-methoxy-phenoxy)-5-[2-(tetrahydro-pyran-2-yloxy)-ethoxy]-benzoate
- IUPAC
- methyl 3-[(4-tert-butylphenyl)sulfonylamino]-4-(2-chloro-5-methoxyphenoxy)-5-[2-(oxan-2-yloxy)ethoxy]benzoate
Names & synonyms
SCHEMBL7569615KNDGPGWRJNOIIW-UHFFFAOYSA-Nmethyl 3-(4-tert-butyl-benzenesulphonylamino)-4-(2-chloro-5-methoxy-phenoxy)-5-[2-(tetrahydro-pyran-2-yloxy)-ethoxy]-benzoate
Database identifiers
- PubChem CID
- 23288581
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 14
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 995
Related reactions
3 records
Compound notes
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