Basic information
- Standard SMILES
Cc1oc2ccc(Cl)cc2[n+]1CCNS(C)(=O)=O.O=S(=O)([O-])c1ccc(Cl)cc1- InChIKey
LDBLIERCMPBQQG-UHFFFAOYSA-M- Molecular formula
- C17H18Cl2N2O6S2
- Average molar mass
- 481.4 g/mol
Names & identifiers
- Preferred name
- 5-Chloro-3-(2-methanesulfonylaminoethyl)-2-methylbenzoxazolium 4-chlorobenzenesulfonate
- IUPAC
- 4-chlorobenzenesulfonate;N-[2-(5-chloro-2-methyl-1,3-benzoxazol-3-ium-3-yl)ethyl]methanesulfonamide
Names & synonyms
SCHEMBL10623805LDBLIERCMPBQQG-UHFFFAOYSA-M5-chloro-3-(2-methanesulfonylaminoethyl)-2-methylbenzoxazolium 4-chlorobenzenesulfonate
Database identifiers
- PubChem CID
- 20141390
Properties
Computed structural properties
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 581
Related reactions
1 records
Compound notes
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