Basic information
- Standard SMILES
CCOC(=O)c1[nH]c2ccccc2c1CCCOS(C)(=O)=O- InChIKey
VVMUROPRVWWFLN-UHFFFAOYSA-N- Molecular formula
- C15H19NO5S
- Average molar mass
- 325.4 g/mol
Names & identifiers
- Preferred name
- Ethyl 3-(3-(methylsulfonyloxy)propyl)-1h-indole-2-carboxylate
- IUPAC
- ethyl 3-(3-methylsulfonyloxypropyl)-1H-indole-2-carboxylate
Names & synonyms
SCHEMBL2206453VVMUROPRVWWFLN-UHFFFAOYSA-NDB-204088ethyl 3-(3-(methylsulfonyloxy)propyl)-1h-indole-2-carboxylate3-[3-[(Methylsulfonyl)oxy]propyl]-1h-indole-2-carboxylic acid ethyl ester1079251-56-1
Database identifiers
- PubChem CID
- 87353567
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 93.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 473
Related reactions
4 records
Compound notes
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