Basic information
- Standard SMILES
CCOC(=O)c1cc(NCc2ccccc2)c(N2CCCCC2)c(S(N)(=O)=O)c1- InChIKey
FNOGQAVBBZBRRL-UHFFFAOYSA-N- Molecular formula
- C21H27N3O4S
- Average molar mass
- 417.5 g/mol
- Monoisotopic mass
- 417.17222752
Names & identifiers
- Preferred name
- Ethyl 3-benzylamino-4-piperidino-5-sulphamyl-benzoate
- IUPAC
- ethyl 3-(benzylamino)-4-piperidin-1-yl-5-sulfamoylbenzoate
Names & synonyms
SCHEMBL11844163FNOGQAVBBZBRRL-UHFFFAOYSA-Nethyl 3-benzylamino-4-piperidino-5-sulphamyl-benzoate
Database identifiers
- PubChem CID
- 21505995
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 624
Related reactions
1 records
Compound notes
Loading…