Basic information
- Standard SMILES
CCOc1cc(CN[C@@H](C)[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)cc(OCC)c1- InChIKey
GZMWWNNLOLXUFL-QKKBWIMNSA-N- Molecular formula
- C21H30N2O6S
- Average molar mass
- 438.5 g/mol
- Monoisotopic mass
- 438.18245785
Names & identifiers
- Preferred name
- N-(5-((1R,2S)-2-(3,5-Diethoxybenzylamino)-1-hydroxypropyl)-2-hydroxyphenyl)methanesulfonamide
- IUPAC
- N-[5-[(1R,2S)-2-[(3,5-diethoxyphenyl)methylamino]-1-hydroxypropyl]-2-hydroxyphenyl]methanesulfonamide
Names & synonyms
SCHEMBL1577074GZMWWNNLOLXUFL-QKKBWIMNSA-NN-(5-((1R,2S)-2-(3,5-Diethoxybenzylamino)-1-hydroxypropyl)-2-hydroxyphenyl)methane-sulfonamideN-(5-((1R,2S)-2-(3,5-Diethoxybenzylamino)-1-hydroxypropyl)-2-hydroxyphenyl)methanesulfonamide
Database identifiers
- PubChem CID
- 44628485
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 585
Related reactions
2 records
Compound notes
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