Basic information
- Standard SMILES
COC(=O)c1ccc(CN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1- InChIKey
CEWCQCWJWMZTJD-UHFFFAOYSA-N- Molecular formula
- C19H22N2O4S
- Average molar mass
- 374.5 g/mol
Names & identifiers
- Preferred name
- Methyl 4-[1-(benzenesulphonyl)-piperazin-4-ylmethyl]-benzoate
- IUPAC
- methyl 4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]benzoate
Names & synonyms
SCHEMBL10901780CEWCQCWJWMZTJD-UHFFFAOYSA-NAKOS025120083Z46248940Methyl 4-[1-(benzenesulphonyl)-piperazin-4-ylmethyl]-benzoate
Database identifiers
- PubChem CID
- 8743532
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 553
Related reactions
2 records
Compound notes
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