Basic information
- Standard SMILES
C[C@H]1CN(Cc2cc(Cl)ccc2OCC(=O)O)CCN1S(=O)(=O)Cc1ccccc1- InChIKey
FYBIPFSMDCQHGL-INIZCTEOSA-N- Molecular formula
- C21H25ClN2O5S
- Average molar mass
- 453 g/mol
Names & identifiers
- Preferred name
- [4-Chloro-2-[[(3S)-3-methyl-4-[(phenylmethyl)sulfonyl]-1-piperazinyl]methyl]phenoxy]acetic Acid
- IUPAC
- 2-[2-[[(3S)-4-benzylsulfonyl-3-methylpiperazin-1-yl]methyl]-4-chlorophenoxy]acetic acid
Names & synonyms
SCHEMBL1714363FYBIPFSMDCQHGL-INIZCTEOSA-N[4-Chloro-2-[[(3S)-3-methyl-4-[(phenylmethyl)sulfonyl]-1-piperazinyl]methyl]phenoxy]acetic Acid
Database identifiers
- PubChem CID
- 11698153
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 95.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 665
Related reactions
1 records
Compound notes
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