Basic information
- Standard SMILES
COC[C@H](Nc1c(Nc2ccc(Cl)c(S(=O)(=O)N(C)OC)c2O)c(=O)c1=O)C(C)C- InChIKey
XUNJNKFPASHTHO-LBPRGKRZSA-N- Molecular formula
- C18H24ClN3O7S
- Average molar mass
- 461.9 g/mol
Names & identifiers
- Preferred name
- 6-Chloro-2-hydroxy-N-methoxy-3-[2-((R)-1-methoxymethyl-2-methyl-propylamino)-3,4-dioxo-cyclobut-1-enylamino]-N-methyl-benzenesulfonamide
- IUPAC
- 6-chloro-2-hydroxy-N-methoxy-3-[[2-[[(2R)-1-methoxy-3-methylbutan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N-methylbenzenesulfonamide
Names & synonyms
SCHEMBL1579029XUNJNKFPASHTHO-LBPRGKRZSA-N6-Chloro-2-hydroxy-N-methoxy-3-[2-((R)-1-methoxymethyl-2-methyl-propylamino)-3,4-dioxo-cyclobut-1-enylamino]-N-methyl-benzenesulfonamide
Database identifiers
- PubChem CID
- 44629149
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 10
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 796
Related reactions
3 records
Compound notes
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