Basic information
- Standard SMILES
COC(=O)C=Cc1cccc(NS(=O)(=O)/C=C/c2ccccc2)c1- InChIKey
HDKYSZAZRCKLIK-VYPADJPSSA-N- Molecular formula
- C18H17NO4S
- Average molar mass
- 343.4 g/mol
Names & identifiers
- Preferred name
- 3-{3-[(E)-2-Phenylethenesulfonylamino]phenyl}acrylic acid methyl ester
- IUPAC
- methyl 3-[3-[[(E)-2-phenylethenyl]sulfonylamino]phenyl]prop-2-enoate
Names & synonyms
SCHEMBL1403210HDKYSZAZRCKLIK-VYPADJPSSA-N3-{3-[(E)-2-Phenylethenesulfonylamino]phenyl}acrylic acid methyl ester
Database identifiers
- PubChem CID
- 67019599
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 556
Related reactions
4 records
Compound notes
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