Basic information
- Standard SMILES
O=C1CN(c2ccc(CC[C@@H]3Cc4ccccc4CN3S(=O)(=O)c3ccccc3)cc2O)S(=O)(=O)N1- InChIKey
WQVKAIORPHLJJX-OAQYLSRUSA-N- Molecular formula
- C25H25N3O6S2
- Average molar mass
- 527.6 g/mol
Names & identifiers
- Preferred name
- 5-{4-[2-((R)-2-Benzenesulfonyl-1,2,3,4-tetrahydroisoquinolin-3-yl)-ethyl]-2-hydroxyphenyl}-1,1-dioxo-1,2,5-thiadiazolidin-3-one
- IUPAC
- 5-[4-[2-[(3R)-2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-3-yl]ethyl]-2-hydroxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
Names & synonyms
SCHEMBL3226531WQVKAIORPHLJJX-OAQYLSRUSA-N5-{4-[2-((R)-2-Benzenesulfonyl-1,2,3,4-tetrahydroisoquinolin-3-yl)-ethyl]-2-hydroxyphenyl}-1,1-dioxo-1,2,5-thiadiazolidin-3-one
Database identifiers
- PubChem CID
- 57777466
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 1,000
Related reactions
1 records
Compound notes
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