Basic information
- Standard SMILES
COC(=O)CC(NS(=O)(=O)c1ccc(C)cc1)c1ccc(OCC2CCN(c3ccncc3)CC2)cc1- InChIKey
NHDFFYAROHASCX-UHFFFAOYSA-N- Molecular formula
- C28H33N3O5S
- Average molar mass
- 523.6 g/mol
Names & identifiers
- Preferred name
- Methyl 3-(4-methylphenylsulphonylamino)-3-[4-[1-(4-pyridyl)-piperidin-4-yl]methoxyphenyl]propionate
- IUPAC
- methyl 3-[(4-methylphenyl)sulfonylamino]-3-[4-[(1-pyridin-4-ylpiperidin-4-yl)methoxy]phenyl]propanoate
Names & synonyms
SCHEMBL7396907NHDFFYAROHASCX-UHFFFAOYSA-NMethyl 3-(4-methylphenylsulphonylamino)-3-[4-[1-(4-pyridyl)-piperidin-4-yl]methoxyphenyl]propionate
Database identifiers
- PubChem CID
- 18918271
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 789
Related reactions
3 records
Compound notes
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