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Basic information
- Standard SMILES
COC(=O)CCCS(=O)(=O)NC(=O)COc1cccc2c1cc(C)n2Cc1ccccc1- InChIKey
NIXYBHAYQGRRRL-UHFFFAOYSA-N- Molecular formula
- C23H26N2O6S
- Average molar mass
- 458.5 g/mol
- Monoisotopic mass
- 458.15115773
Names & identifiers
- Preferred name
- 4-[2-(1-Benzyl-2-methyl-1H-indol-4-yloxy)-acetylsulfamoyl]-butyric acid methyl ester
- IUPAC
- methyl 4-[[2-(1-benzyl-2-methylindol-4-yl)oxyacetyl]sulfamoyl]butanoate
Names & synonyms
SCHEMBL3201116NIXYBHAYQGRRRL-UHFFFAOYSA-N4-[2-(1-Benzyl-2-methyl-1H-indol-4-yloxy)-acetylsulfamoyl]-butyric acid methyl ester
Database identifiers
- PubChem CID
- 68547713
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 731
Related reactions
2 records
Compound notes
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