Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1C[C@H](N(OCc2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])CC[C@H]1C#N- InChIKey
LMKIFQXKVUSFNI-VQTJNVASSA-N- Molecular formula
- C24H28N4O7S
- Average molar mass
- 516.6 g/mol
Names & identifiers
- Preferred name
- (2S,5R)-tert-butyl 5-(N-(benzyloxy)-2-nitrophenylsulfonamido)-2-cyanopiperidine-1-carboxylate
- IUPAC
- tert-butyl (2S,5R)-2-cyano-5-[(2-nitrophenyl)sulfonyl-phenylmethoxyamino]piperidine-1-carboxylate
Names & synonyms
SCHEMBL15347310LMKIFQXKVUSFNI-VQTJNVASSA-N(2S,5R)-tert-butyl 5-(N-(benzyloxy)-2-nitrophenylsulfonamido)-2-cyanopiperidine-1-carboxylate
Database identifiers
- PubChem CID
- 86700670
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 154 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 925
Related reactions
1 records
Compound notes
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