Methyl 4-(1,1-dioxo-4-phenylisothiazolidin-2-yl)-5-methanesulfonyl-2-methylbenzoate
Basic information
- Standard SMILES
COC(=O)c1cc(S(C)(=O)=O)c(N2CC(c3ccccc3)CS2(=O)=O)cc1C- InChIKey
HFKBCFLKXZIKDL-UHFFFAOYSA-N- Molecular formula
- C19H21NO6S2
- Average molar mass
- 423.5 g/mol
- Monoisotopic mass
- 423.08102974
Names & identifiers
- Preferred name
- Methyl 4-(1,1-dioxo-4-phenylisothiazolidin-2-yl)-5-methanesulfonyl-2-methylbenzoate
- IUPAC
- methyl 4-(1,1-dioxo-4-phenyl-1,2-thiazolidin-2-yl)-2-methyl-5-methylsulfonylbenzoate
Names & synonyms
SCHEMBL2974214HFKBCFLKXZIKDL-UHFFFAOYSA-NMethyl 4-(1,1-dioxo-4-phenylisothiazolidin-2-yl)-5-methanesulfonyl-2-methylbenzoate
Database identifiers
- PubChem CID
- 68462811
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 776
Related reactions
2 records
Compound notes
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