Basic information
- Standard SMILES
CCOC(=O)CSc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2c1O- InChIKey
MYKNOMVWUDXSJE-UHFFFAOYSA-N- Molecular formula
- C20H18N2O7S2
- Average molar mass
- 462.5 g/mol
- Monoisotopic mass
- 462.05554326
Names & identifiers
- Preferred name
- Ethyl 2-(1-hydroxy-4-(4-nitrophenylsulfonamido)naphthalen-2-ylthio)acetate
- IUPAC
- ethyl 2-[1-hydroxy-4-[(4-nitrophenyl)sulfonylamino]naphthalen-2-yl]sulfanylacetate
Names & synonyms
SCHEMBL2239992MYKNOMVWUDXSJE-UHFFFAOYSA-NEthyl 2-(1-hydroxy-4-(4-nitrophenylsulfonamido)naphthalen-2-ylthio)acetate
Database identifiers
- PubChem CID
- 44608988
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 172 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 729
Related reactions
1 records
Compound notes
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