Basic information
- Standard SMILES
CCCCNS(=O)(=O)c1ccc(N2CCC(NC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1- InChIKey
YRTXNRVVTNHZBQ-DEOSSOPVSA-N- Molecular formula
- C24H36N4O6S2
- Average molar mass
- 540.7 g/mol
Names & identifiers
- Preferred name
- N-Butyl-4-{4-[(2R)-2-hydroxy-2-(4-hydroxy-3-methanesulfonylamino-phenyl)-ethylamino]-piperidin-1-yl}-benzenesulfonamide
- IUPAC
- N-butyl-4-[4-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(methanesulfonamido)phenyl]ethyl]amino]piperidin-1-yl]benzenesulfonamide
Names & synonyms
SCHEMBL6800405YRTXNRVVTNHZBQ-DEOSSOPVSA-NN-Butyl-4-{4-[(2R)-2-hydroxy-2-(4-hydroxy-3-methanesulfonylamino-phenyl)-ethylamino]-piperidin-1-yl}-benzenesulfonamide
Database identifiers
- PubChem CID
- 9807331
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 165 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 12
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 860
Related reactions
2 records
Compound notes
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