Basic information
- Standard SMILES
CC(C)(C)N1C(=O)C(NCCOc2ccccc2OS(C)(=O)=O)=C(c2ccccc2)S1(=O)=O- InChIKey
BGXPGXWCTLEYHL-UHFFFAOYSA-N- Molecular formula
- C22H26N2O7S2
- Average molar mass
- 494.6 g/mol
Names & identifiers
- Preferred name
- 2-{2-[(2-tert-Butyl-1,1-dioxido-3-oxo-5-phenyl-2,3-dihydroisothiazol-4-yl)amino]ethoxy}phenyl methanesulfonate
- IUPAC
- [2-[2-[(2-tert-butyl-1,1,3-trioxo-5-phenyl-1,2-thiazol-4-yl)amino]ethoxy]phenyl] methanesulfonate
Names & synonyms
SCHEMBL1999833BGXPGXWCTLEYHL-UHFFFAOYSA-N2-{2-[(2-tert-Butyl-1,1-dioxido-3-oxo-5-phenyl-2,3-dihydroisothiazol-4-yl)amino]ethoxy}phenyl methanesulfonate
Database identifiers
- PubChem CID
- 11612936
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 950
Related reactions
3 records
Compound notes
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