Basic information
- Standard SMILES
CS(=O)(=O)Nc1ccc2c(c1)C(=O)CC1(CCN(CCc3ccc(Cl)nc3)CC1)O2- InChIKey
QEHSPDDLHNYYFT-UHFFFAOYSA-N- Molecular formula
- C21H24ClN3O4S
- Average molar mass
- 450 g/mol
- Monoisotopic mass
- 449.1176051
Names & identifiers
- Preferred name
- 6-Methanesulfonamido-3,4-dihydro-1'-[2-(2-chloro-pyrid-5-yl)ethyl]-spiro[(2H)-1-benzopyran-2,4'-piperidine]-4-one
- IUPAC
- N-[1'-[2-(6-chloro-3-pyridinyl)ethyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]methanesulfonamide
Names & synonyms
SCHEMBL8565289QEHSPDDLHNYYFT-UHFFFAOYSA-N6-Methanesulfonamido-3,4-dihydro-1'-[2-(2-chloro-pyrid-5-yl)ethyl]-spiro[(2H)-1-benzopyran-2,4'-piperidine]-4-one6-methanesulfonamido-3,4-dihydro-1'-[2-(2-chloro-pyrid-5-yl)ethyl]spiro [(2H)-1-benzopyran-2,4'-piperidine]-4-one6-Methanesulfonamido-3,4-dihydro-1'-[2-(2-chloropyrid-5-yl)ethyl]-spiro[(2H)-1-benzopyran-2,4'-piperidine]-4-one
Database identifiers
- PubChem CID
- 19045372
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 97 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 720
Related reactions
4 records
Compound notes
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