Basic information
- Standard SMILES
CCCS(=O)(=O)NCCOc1ccc2c(c1)C(C1(c3ccc(Cl)cc3)CCC1)NCC2(C)C.Cl- InChIKey
QGNNFKUYOLDQKV-UHFFFAOYSA-N- Molecular formula
- C26H36Cl2N2O3S
- Average molar mass
- 527.5 g/mol
- Monoisotopic mass
- 526.1823696
Names & identifiers
- Preferred name
- N-[2-({1-[1-(4-Chlorophenyl)cyclobutyl]-4,4-dimethyl-1,2,3,4-tetrahydroisoquinolin-7-yl}oxy)ethyl]propane-1-sulfonamide hydrochloride
- IUPAC
- N-[2-[[1-[1-(4-chlorophenyl)cyclobutyl]-4,4-dimethyl-2,3-dihydro-1H-isoquinolin-7-yl]oxy]ethyl]propane-1-sulfonamide;hydrochloride
Names & synonyms
SCHEMBL988968QGNNFKUYOLDQKV-UHFFFAOYSA-NN-[2-({1-[1-(4-Chlorophenyl)cyclobutyl]-4,4-dimethyl-1,2,3,4-tetrahydroisoquinolin-7-yl}oxy)ethyl]propane-1-sulfonamide hydrochloride
Database identifiers
- PubChem CID
- 66868673
Properties
Computed structural properties
- Topological polar surface area
- 75.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 741
Related reactions
2 records
Compound notes
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