Basic information
- Standard SMILES
CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2N2CCC(NC[C@H](O)c3ccc(O)c(O)c3)CC2)cc1- InChIKey
NDVLZDHGJMDUMK-MHZLTWQESA-N- Molecular formula
- C27H32N4O6S
- Average molar mass
- 540.6 g/mol
Names & identifiers
- Preferred name
- N-(4-{[2-(4-{[(2R)-2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl]amino}-1-piperidinyl)-anilino]sulfonyl}phenyl)acetamide
- IUPAC
- N-[4-[[2-[4-[[(2R)-2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino]piperidin-1-yl]phenyl]sulfamoyl]phenyl]acetamide
Names & synonyms
SCHEMBL6074103NDVLZDHGJMDUMK-MHZLTWQESA-NN-(4-{[2-(4-{[(2R)-2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl]amino}-1-piperdinyl)-anilino]sulfonyl}phenyl)acetamideN-(4-{[2-(4-{[(2R)-2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl]amino}-1-piperidinyl)-anilino]sulfonyl}phenyl)acetamide
Database identifiers
- PubChem CID
- 69654757
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 160 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 854
Related reactions
2 records
Compound notes
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