Basic information
- Standard SMILES
Cc1c(S(=O)(=O)Nc2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cc2S(C)(=O)=O)sc2ccc(F)cc12- InChIKey
ZLDJXCZIMXTSSG-UHFFFAOYSA-N- Molecular formula
- C26H31FN2O6S3
- Average molar mass
- 582.7 g/mol
- Monoisotopic mass
- 582.1328284
Names & identifiers
- Preferred name
- 4-[4-(5-Fluoro-3-methyl-benzo[b]thiophene-2-sulfonylamino)-3-methanesulfonyl-phenyl]-piperidine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 4-[4-[(5-fluoro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-3-methylsulfonylphenyl]piperidine-1-carboxylate
Names & synonyms
SCHEMBL2112370ZLDJXCZIMXTSSG-UHFFFAOYSA-N4-[4-(5-Fluoro-3-methyl-benzo[b]thiophene-2-sulfonylamino)-3-methanesulfonyl-phenyl]-piperidine-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 59759983
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 155 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 1,060
Related reactions
2 records
Compound notes
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