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Basic information
- Standard SMILES
COC(=O)c1ccc(CN(CCC2CCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1-c1ccccc1C- InChIKey
PNPVSVNEBSUZHZ-UHFFFAOYSA-N- Molecular formula
- C31H37NO4S
- Average molar mass
- 519.7 g/mol
Names & identifiers
- Preferred name
- 4-(N-(2-Cyclohexylethyl)-N-p-toluenesulfonylaminomethyl)-2-(2-methylphenyl)benzoic acid, Methyl Ester
- IUPAC
- methyl 4-[[2-cyclohexylethyl-(4-methylphenyl)sulfonylamino]methyl]-2-(2-methylphenyl)benzoate
Names & synonyms
SCHEMBL7869174PNPVSVNEBSUZHZ-UHFFFAOYSA-N4-(N-(2-Cyclohexylethyl)-N-p-toluenesulfonylaminomethyl)-2-(2-methylphenyl)benzoic acid, Methyl Ester
Database identifiers
- PubChem CID
- 20699862
Properties
Computed structural propertiesFilling in
- XLogP
- 7.9
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 810
Related reactions
1 records
Compound notes
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