methyl(E)-2-(5-((2,4,6-trimethoxystyrylsulfonyl)methyl)-2-methoxyphenylamino)propanoate
Basic information
- Standard SMILES
COC(=O)C(C)Nc1cc(CS(=O)(=O)/C=C/c2c(OC)cc(OC)cc2OC)ccc1OC- InChIKey
DDNKANXGUJYRAC-MDZDMXLPSA-N- Molecular formula
- C23H29NO8S
- Average molar mass
- 479.5 g/mol
- Monoisotopic mass
- 479.16138806
Names & identifiers
- Preferred name
- methyl(E)-2-(5-((2,4,6-trimethoxystyrylsulfonyl)methyl)-2-methoxyphenylamino)propanoate
- IUPAC
- methyl 2-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]anilino]propanoate
Names & synonyms
SCHEMBL498950DDNKANXGUJYRAC-MDZDMXLPSA-Nmethyl (E)-2-(5-((2,4,6-trimethoxystyrylsulfonyl)methyl)-2-methoxy-phenylamino)propanoatemethyl (E)-2-(5-((2,4,6-trimethoxystyrylsulfonyl)methyl)-2-methoxyphenylamino)propanoatemethyl(E)-2-(5-((2,4,6-trimethoxystyrylsulfonyl)methyl)-2-methoxyphenylamino)propanoate
Database identifiers
- PubChem CID
- 54579438
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 12
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 723
Related reactions
4 records
Compound notes
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