Basic information
- Standard SMILES
CC(C)S(=O)(=O)Nc1ccc(N2CCC(N3C(=O)OCc4ccccc43)CC2)c(Cl)c1- InChIKey
NDXVXJBIZZDGBQ-UHFFFAOYSA-N- Molecular formula
- C22H26ClN3O4S
- Average molar mass
- 464 g/mol
Names & identifiers
- Preferred name
- N-{3-Chloro-4-[4-(2-oxo-2H-3,1-benzoxazin-1(4H)-yl)piperidin-1-yl]phenyl}propane-2-sulfonamide
- IUPAC
- N-[3-chloro-4-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]phenyl]propane-2-sulfonamide
Names & synonyms
SCHEMBL6864651NDXVXJBIZZDGBQ-UHFFFAOYSA-NN-{3-Chloro-4-[4-(2-oxo-2H-3,1-benzoxazin-1(4H)-yl)piperidin-1-yl]phenyl}propane-2-sulfonamide
Database identifiers
- PubChem CID
- 22644580
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 87.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 736
Related reactions
2 records
Compound notes
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