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Basic information
- Standard SMILES
CC(C)(C)OC(=O)COc1cccc2c1CCC[C@H]2NS(=O)(=O)c1ccc(I)cc1- InChIKey
XHWDILSFPLBPJM-LJQANCHMSA-N- Molecular formula
- C22H26INO5S
- Average molar mass
- 543.4 g/mol
- Monoisotopic mass
- 543.05764
Names & identifiers
- Preferred name
- (R)-[5-(4-iodo-benzenesulfonylamino)-5,6,7,8-tetrahydro-naphthalen-1-yloxy]-acetic acid tert-butyl ester
- IUPAC
- tert-butyl 2-[[(5R)-5-[(4-iodophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetate
Names & synonyms
SCHEMBL2106871XHWDILSFPLBPJM-LJQANCHMSA-N(R)-[5-(4-iodo-benzenesulfonylamino)-5,6,7,8-tetrahydro-naphthalen-1-yloxy]-acetic acid tert-butyl ester
Database identifiers
- PubChem CID
- 59192548
Properties
Computed structural propertiesFilling in
- XLogP
- 4.7
- Topological polar surface area
- 90.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 679
Related reactions
1 records
Compound notes
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