(3S,4R)-4-[4-(2-methyl-quinolin-4-ylmethoxy)-benzenesulfonylamino]-piperidine-3-carboxylic acid
Basic information
- Standard SMILES
Cc1cc(COc2ccc(S(=O)(=O)N[C@@H]3CCNC[C@@H]3C(=O)O)cc2)c2ccccc2n1- InChIKey
ASKMHVLFTYSSJS-RBBKRZOGSA-N- Molecular formula
- C23H25N3O5S
- Average molar mass
- 455.5 g/mol
Names & identifiers
- Preferred name
- (3S,4R)-4-[4-(2-methyl-quinolin-4-ylmethoxy)-benzenesulfonylamino]-piperidine-3-carboxylic acid
- IUPAC
- (3S,4R)-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]piperidine-3-carboxylic acid
Names & synonyms
SCHEMBL3860485ASKMHVLFTYSSJS-RBBKRZOGSA-N(3S, 4R)-4-[4-(2-methyl-quinolin-4-ylmethoxy)-benzenesulfonylamino]-piperidine-3-carboxylic acid(3S,4R)-4-[4-(2-methyl-quinolin-4-ylmethoxy)-benzenesulfonylamino]-piperidine-3-carboxylic acid
Database identifiers
- PubChem CID
- 68817366
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 734
Related reactions
1 records
Compound notes
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