Basic information
- Standard SMILES
CCCS(=O)(=O)Oc1c(C(=O)c2cc(C)c3c(c2C)C(=NOC)CCS3(=O)=O)cnn1CC- InChIKey
FEWMDWHWNRQKPE-UHFFFAOYSA-N- Molecular formula
- C21H27N3O7S2
- Average molar mass
- 497.6 g/mol
- Monoisotopic mass
- 497.12904256
Names & identifiers
- Preferred name
- 4-Methoxyimino-5,8-dimethyl-6-(1-ethyl-5-n-propanesulfonyloxypyrazol-4-yl)carbonylthiochroman-1,1-dioxide
- IUPAC
- [1-ethyl-4-(4-methoxyimino-5,8-dimethyl-1,1-dioxo-2,3-dihydrothiochromene-6-carbonyl)pyrazol-5-yl] propane-1-sulfonate
Names & synonyms
SCHEMBL8623362FEWMDWHWNRQKPE-UHFFFAOYSA-N4-Methoxyimino-5, 8-dimethyl-6- (1-ethyl-5-n-propanesulfonyloxypyrazol-4-yl) carbonylthiochroman-1,1-dioxide4-Methoxyimino-5,8-dimethyl-6-(1-ethyl-5-n-propanesulfonyloxypyrazol-4-yl)carbonylthiochroman-1,1-dioxide
Database identifiers
- PubChem CID
- 53795658
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 151 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 955
Related reactions
3 records
Compound notes
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