Basic information
- Standard SMILES
Cc1ccc(S(=O)(=O)OCC2CC(OS(=O)(=O)c3ccc(C)cc3)CN2S(=O)(=O)c2ccc(C)cc2)cc1- InChIKey
UJDJLZINFVKBBH-UHFFFAOYSA-N- Molecular formula
- C26H29NO8S3
- Average molar mass
- 579.7 g/mol
Names & identifiers
- Preferred name
- 1-(4-Toluenesulfonyl)-2-(4-toluenesulfonyloxymethyl)-4-(4-toluenesulfonyloxy)-pyrrolidine
- IUPAC
- [1-(4-methylphenyl)sulfonyl-4-(4-methylphenyl)sulfonyloxypyrrolidin-2-yl]methyl 4-methylbenzenesulfonate
Names & synonyms
NSC165892SCHEMBL1569030UJDJLZINFVKBBH-UHFFFAOYSA-NNSC-1658921-(4-TOLUENESULFONYL)-2-(4-TOLUENESULFONYLOXYMETHYL)-4-(4-TOLUENESULFONYLOXY)-PYRROLIDINE
Database identifiers
- PubChem CID
- 296100
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 149 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 1,080
Related reactions
6 records
Linked notes
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