Basic information
- Standard SMILES
COC(=O)C(C)N(Cc1ccccc1)S(=O)(=O)c1ccc(OC)cc1- InChIKey
RTUSCPWWFVQYTI-UHFFFAOYSA-N- Molecular formula
- C18H21NO5S
- Average molar mass
- 363.4 g/mol
- Monoisotopic mass
- 363.11404394
Names & identifiers
- Preferred name
- Methyl 2-[[4-methoxybenzenesulfonyl](benzyl)amino]propionate
- IUPAC
- methyl 2-[benzyl-(4-methoxyphenyl)sulfonylamino]propanoate
Names & synonyms
SCHEMBL7341410RTUSCPWWFVQYTI-UHFFFAOYSA-Nmethyl 2-[[4-methoxybenzenesulfonyl](benzyl)amino]-propionoateMethyl 2-[[4-methoxybenzenesulfonyl](benzyl)amino]propionatemethyl 2-[[4-methoxybenzenesulfonyl]-(benzyl)amino]-propionoate
Database identifiers
- PubChem CID
- 22907154
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 81.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 516
Related reactions
12 records
Compound notes
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