Basic information
- CAS
85877-87-8- Standard SMILES
CNN(C(=O)C=O)S(=O)(=O)c1ccc(NC(=O)CCC(=O)OC)cc1- InChIKey
UDDQDBBRSCYMAS-UHFFFAOYSA-N- Molecular formula
- C14H17N3O7S
- Average molar mass
- 371.37 g/mol
- Monoisotopic mass
- 371.07872106
Names & identifiers
- Preferred name
- Butanoic acid, 4-((4-((((methylamino)oxacetyl)amino)sulfonyl)phenyl)amino)-4-oxo-, methyl ester
- IUPAC
- methyl 4-[4-[methylamino(oxaldehydoyl)sulfamoyl]anilino]-4-oxobutanoate
Names & synonyms
Butanoic acid, 4-((4-((((methylamino)oxacetyl)amino)sulfonyl)phenyl)amino)-4-oxo-, methyl ester85877-87-8DTXSID102351844-((4-((((Methylamino)oxacetyl)amino)sulfonyl)phenyl)amino)-4-oxobutanoic acid methyl esterRefChem:330838DTXCID10157675Methyl 4-{4-[2-methyl-1-(oxoacetyl)hydrazine-1-sulfonyl]anilino}-4-oxobutanoate
Database identifiers
- CAS
85877-87-8- PubChem CID
- 55428
- DTXSID
DTXSID10235184
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 147 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 606
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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