N-(3-(Cyclopropyl(4-hydroxy-2-oxo-6-(1-(phenylmethyl)propyl)-2H-pyran-3-yl)methyl)phenyl)-4-cyanobenzenesulfonamide
Basic information
- CAS
162169-82-6- Standard SMILES
CCC(Cc1ccccc1)c1cc(O)c(C(c2cccc(NS(=O)(=O)c3ccc(C#N)cc3)c2)C2CC2)c(=O)o1- InChIKey
OCXOYYFOGHBUKE-UHFFFAOYSA-N- Molecular formula
- C32H30N2O5S
- Average molar mass
- 554.7 g/mol
- Monoisotopic mass
- 554.18754324
Names & identifiers
- Preferred name
- N-(3-(Cyclopropyl(4-hydroxy-2-oxo-6-(1-(phenylmethyl)propyl)-2H-pyran-3-yl)methyl)phenyl)-4-cyanobenzenesulfonamide
- IUPAC
- 4-cyano-N-[3-[cyclopropyl-[4-hydroxy-2-oxo-6-(1-phenylbutan-2-yl)pyran-3-yl]methyl]phenyl]benzenesulfonamide
Names & synonyms
162169-82-6N-(3-(Cyclopropyl(4-hydroxy-2-oxo-6-(1-(phenylmethyl)propyl)-2H-pyran-3-yl)methyl)phenyl)-4-cyanobenzenesulfonamideBenzenesulfonamide, 4-cyano-N-(3-(cyclopropyl(4-hydroxy-2-oxo-6-(1-(phenylmethyl)propyl)-2H-pyran-3-yl)methyl)phenyl)-Benzenesulfonamide, 4-cyano-N-[3-[cyclopropyl[4-hydroxy-2-oxo-6-[1-(phenylmethyl)propyl]-2H-pyran-3-yl]methyl]phenyl]-N-[3-[Cyclopropyl[4-hydroxy-2-oxo-6-[1-(phenylmethyl)propyl]-2H-pyran-3-yl)methyl]phenyl]-4-cyanobenzenesulfonamideCHEMBL76486BDBM1189SCHEMBL6174297DTXSID109366444-cyano-N-(3-{cyclopropyl[4-hydroxy-2-oxo-6-(1-phenylbutan-2-yl)-2H-pyran-3-yl]methyl}phenyl)benzene-1-sulfonamideSulfonamide-Containing 4-Hydroxy-2-pyrone deriv. XXIX4-Cyano-N-(3-{cyclopropyl[2-hydroxy-4-oxo-6-(1-phenylbutan-2-yl)-4H-pyran-3-yl]methyl}phenyl)benzene-1-sulfonamide
Show more names
N-[3-[[6-(1-benzylpropyl)-4-hydroxy-2-oxo-pyran-3-yl]-cyclopropyl-methyl]phenyl]-4-cyano-benzenesulfonamideN-[3-[Cyclopropyl[4-hydroxy-2-oxo-6-[1-(phenylmethyl)propyl]2H-pyran-3-yl)methyl]phenyl]-4-cyanobenzenesulfonamide
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 1,130
Related reactions
0 records
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Compound notes
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