Basic information
- Standard SMILES
COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COC(=O)C(C)(C)C)C2=O- InChIKey
QNMRGGVAQYTXHU-UHFFFAOYSA-N- Molecular formula
- C17H23NO6S
- Average molar mass
- 369.4 g/mol
- Monoisotopic mass
- 369.12460863
Names & identifiers
- Preferred name
- 2-(pivaloyloxymethyl)-4-isopropyl-6-methoxy-1,2-benzisothiazol-3(2H)-one 1,1-dioxide
- IUPAC
- (6-methoxy-1,1,3-trioxo-4-propan-2-yl-1,2-benzothiazol-2-yl)methyl 2,2-dimethylpropanoate
Names & synonyms
SCHEMBL7407054QNMRGGVAQYTXHU-UHFFFAOYSA-N2-(pivaloyloxymethyl)-4-isopropyl-6-methoxy-1,2-benzisothiazol-3(2H)-one 1,1-dioxide
Database identifiers
- PubChem CID
- 11089961
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 98.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 631
Related reactions
4 records
Compound notes
Loading…