Basic information
- Standard SMILES
Cc1ccc(S(=O)(=O)N2CCSC[C@H]2C(=O)OCCCc2ccccc2)cc1- InChIKey
NTZKMOCLIIZFHU-FQEVSTJZSA-N- Molecular formula
- C21H25NO4S2
- Average molar mass
- 419.6 g/mol
Names & identifiers
- Preferred name
- (3R)-4-(4-toluenesulfonyl)thiomorpholine-3-carboxylic acid phenylpropyl ester
- IUPAC
- 3-phenylpropyl (3R)-4-(4-methylphenyl)sulfonylthiomorpholine-3-carboxylate
Names & synonyms
SCHEMBL5361901NTZKMOCLIIZFHU-FQEVSTJZSA-N(3r)-4-(4-toluenesulfonyl)thiomorpholine-3-carbox ylic acid phenylpropyl ester(3R)-4-(4-toluenesulfonyl)thiomorpholine-3-carboxylic acid phenylpropyl ester
Database identifiers
- PubChem CID
- 69417121
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 97.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 590
Related reactions
1 records
Compound notes
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