Basic information
- Standard SMILES
CC[C@@H](C(=O)[O-])S(=O)(=NC(=O)c1cncc(C#Cc2cccc(O)c2)c1)c1ccccc1- InChIKey
HIMIBIHKQNQFPQ-LCUARMQBSA-M- Molecular formula
- C24H19N2O5S-
- Average molar mass
- 447.5 g/mol
- Monoisotopic mass
- 447.10146788
Names & identifiers
- Preferred name
- (S)-Ethyl[N-({5-[(3-hydroxyphenyl)ethynyl]pyridin-3-yl}carbonyl)-S-phenylsulfonimidoyl]acetate
- IUPAC
- (2S)-2-[N-[5-[2-(3-hydroxyphenyl)ethynyl]pyridine-3-carbonyl]-S-phenylsulfonimidoyl]butanoate
Names & synonyms
HIMIBIHKQNQFPQ-LCUARMQBSA-M(S)-Ethyl[N-({5-[(3-hydroxyphenyl)ethynyl]pyridin-3-yl}carbonyl)-S-phenylsulfonimidoyl]acetate
Database identifiers
- PubChem CID
- 86629474
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- -1
- Complexity
- 855
Related reactions
5 records
Compound notes
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