Basic information
- Standard SMILES
O=C1CN(c2ccc(CCC3CCCCN3S(=O)(=O)c3ccccc3)cc2O)S(=O)(=O)N1- InChIKey
AMKVFJSGTSBVIY-UHFFFAOYSA-N- Molecular formula
- C21H25N3O6S2
- Average molar mass
- 479.6 g/mol
- Monoisotopic mass
- 479.11847787
Names & identifiers
- Preferred name
- 5-{4-[2-(1-Benzenesulfonylpiperidin-2-yl)-ethyl]-2-hydroxyphenyl}-1,1-dioxo-1,2,5-thiadiazolidin-3-one
- IUPAC
- 5-[4-[2-[1-(benzenesulfonyl)piperidin-2-yl]ethyl]-2-hydroxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
Names & synonyms
SCHEMBL2934020AMKVFJSGTSBVIY-UHFFFAOYSA-N5-{4-[2-(1-Benzenesulfonylpiperidin-2-yl)-ethyl]-2-hydroxyphenyl}-1,1-dioxo-1,2,5-thiadiazolidin-3-one
Database identifiers
- PubChem CID
- 57777333
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 876
Related reactions
1 records
Compound notes
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