Basic information
- CAS
58423-68-0- Standard SMILES
Cc1nc(-c2ccc(N=Cc3ccc(N(CCOS(C)(=O)=O)CCOS(C)(=O)=O)cc3C)cc2)c(C)s1.Cl- InChIKey
SHEDKLMTOAAAEP-UHFFFAOYSA-N- Molecular formula
- C25H32ClN3O6S3
- Average molar mass
- 602.2 g/mol
- Monoisotopic mass
- 601.114177
Names & identifiers
- Preferred name
- ({4-[(E)-{[4-(2,5-Dimethyl-1,3-thiazol-4-yl)phenyl]imino}methyl]-3-methylphenyl}azanediyl)di(ethane-2,1-diyl) dimethanesulfonate--hydrogen chloride (1/1)
- IUPAC
- 2-[4-[[4-(2,5-dimethyl-1,3-thiazol-4-yl)phenyl]iminomethyl]-3-methyl-N-(2-methylsulfonyloxyethyl)anilino]ethyl methanesulfonate;hydrochloride
Names & synonyms
58423-68-0DTXSID10715537NSC166234NSC-166234({4-[(E)-{[4-(2,5-Dimethyl-1,3-thiazol-4-yl)phenyl]imino}methyl]-3-methylphenyl}azanediyl)di(ethane-2,1-diyl) dimethanesulfonate--hydrogen chloride (1/1)
Database identifiers
- CAS
58423-68-0- PubChem CID
- 54612349
- DTXSID
DTXSID10715537
Properties
Computed structural properties
- Topological polar surface area
- 160 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 12
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 904
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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