Basic information
- Standard SMILES
CC(C(=O)OC(C)(C)C)N1CCC(N(C)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O- InChIKey
INLIIFLTVFGVAZ-UHFFFAOYSA-N- Molecular formula
- C22H27ClN2O5S
- Average molar mass
- 467 g/mol
Names & identifiers
- Preferred name
- Tert-butyl 2-[3-[(6-chloronaphthalen-2-yl)sulfonyl-methylamino]-2-oxopyrrolidin-1-yl]propanoate
- IUPAC
- tert-butyl 2-[3-[(6-chloronaphthalen-2-yl)sulfonyl-methylamino]-2-oxopyrrolidin-1-yl]propanoate
Database identifiers
- PubChem CID
- 22016974
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 791
Related reactions
4 records
Compound notes
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