Basic information
- Standard SMILES
CCCCS(=O)(=O)N(CC(=O)OCc1ccccc1)c1ccc(N2CCC(=O)CC2)cc1- InChIKey
ZMGCMGSOHKZILP-UHFFFAOYSA-N- Molecular formula
- C24H30N2O5S
- Average molar mass
- 458.6 g/mol
Names & identifiers
- Preferred name
- {(Butane-1-sulfonyl)-[4-(4-oxo-piperidin-1-yl)-phenyl]-amino}-acetic acid benzyl ester
- IUPAC
- benzyl 2-[N-butylsulfonyl-4-(4-oxopiperidin-1-yl)anilino]acetate
Names & synonyms
SCHEMBL6074924ZMGCMGSOHKZILP-UHFFFAOYSA-N{(Butane-1-sulfonyl)-[4-(4-oxo-piperidin-1-yl)-phenyl]-amino}-acetic acid benzyl ester{(Butane-1-sulfonyl)-[4-(4-oxo-piperidine-1-yl)-phenyl]-amino}-acetic acid benzyl ester{(Butane-1sulfonyl)-[4-(4-oxo-piperidin-1-yl)-phenyl]-amino}-acetic acid benzyl ester
Database identifiers
- PubChem CID
- 69655032
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 696
Related reactions
3 records
Compound notes
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