Basic information
- Standard SMILES
CCCCN(CC(=O)OCc1ccccc1)S(=O)(=O)c1ccc(N2CCC(NCC(O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1- InChIKey
ZRYQOCZGXYMEDI-UHFFFAOYSA-N- Molecular formula
- C33H44N4O8S2
- Average molar mass
- 688.9 g/mol
Names & identifiers
- Preferred name
- Benzyl 2-[butyl-[4-[4-[[2-hydroxy-2-[4-hydroxy-3-(methanesulfonamido)phenyl]ethyl]amino]piperidin-1-yl]phenyl]sulfonylamino]acetate
- IUPAC
- benzyl 2-[butyl-[4-[4-[[2-hydroxy-2-[4-hydroxy-3-(methanesulfonamido)phenyl]ethyl]amino]piperidin-1-yl]phenyl]sulfonylamino]acetate
Names & synonyms
SCHEMBL7559956
Database identifiers
- PubChem CID
- 70129329
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 182 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 17
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,160
Related reactions
1 records
Compound notes
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