trans-N-(6-Cyano-3,4-dihydro-3-hydroxy-2,2-dimethyl-2H-1-benzopyran-4-yl)-N-methyl-ethanesulfonamide
Basic information
- CAS
163163-25-5- Standard SMILES
CCS(=O)(=O)N(C)[C@@H]1c2cc(C#N)ccc2OC(C)(C)[C@H]1O- InChIKey
HVSJHHXUORMCGK-KGLIPLIRSA-N- Molecular formula
- C15H20N2O4S
- Average molar mass
- 324.4 g/mol
- Monoisotopic mass
- 324.1143783
Names & identifiers
- Preferred name
- trans-N-(6-Cyano-3,4-dihydro-3-hydroxy-2,2-dimethyl-2H-1-benzopyran-4-yl)-N-methyl-ethanesulfonamide
- IUPAC
- N-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-N-methylethanesulfonamide
Names & synonyms
RefChem:898905trans-N-(6-Cyano-3,4-dihydro-3-hydroxy-2,2-dimethyl-2H-1-benzopyran-4-yl)-N-methyl-ethanesulfonamidetrans-N-[6-Cyano-3,4-dihydro-3-hydroxy-2,2-dimethyl-2H-1-benzopyran-4-yl]-N-methyl-ethanesulfonamide634-078-83S,4R-293BCHEMBL44297163163-25-5chromanol 239BN-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-N-methylethanesulfonamideN-((3S,4R)-6-Cyano-3-hydroxy-2,2-dimethylchroman-4-yl)-N-methylethanesulfonamideTocris-1412Tocris-1475
Show more names
starbld0047669GTPL8610SCHEMBL4292069Ethanesulfonic acid (6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)-methyl-amideDTXSID601113028BDBM50099567NCGC00025152-01NCGC00025152-02
Database identifiers
- CAS
163163-25-5- PubChem CID
- 6604863
- DTXSID
DTXSID601113028- ChEMBL
CHEMBL44297- Nikkaji
- J758.771F
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 99 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 560
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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