Basic information
- Standard SMILES
C=CC(OCc1ccccc1)C(NS(=O)(=O)c1ccc(Br)cc1)C(=O)OC- InChIKey
UWYDBBOCOPUAKP-UHFFFAOYSA-N- Molecular formula
- C19H20BrNO5S
- Average molar mass
- 454.3 g/mol
- Monoisotopic mass
- 453.02456
Names & identifiers
- Preferred name
- Methyl 2-[4-bromophenylsulfonyl]amino-3-phenylmethoxy-4-pentenoate
- IUPAC
- methyl 2-[(4-bromophenyl)sulfonylamino]-3-phenylmethoxypent-4-enoate
Names & synonyms
SCHEMBL6773478UWYDBBOCOPUAKP-UHFFFAOYSA-NMethyl 2-[4-bromophenylsulfonyl]amino-3-phenylmethoxy-4-pentenoate
Database identifiers
- PubChem CID
- 23508255
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 90.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 577
Related reactions
3 records
Compound notes
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