(S)-2-phenyl-1-(toluene-4-sulfonyl)-2,5-dihydro-1H-pyrrole-3-carboxylic acid ethyl ester
Basic information
- Standard SMILES
CCOC(=O)C1=CCN(S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccccc1- InChIKey
QMRVCOQYPZTTAJ-IBGZPJMESA-N- Molecular formula
- C20H21NO4S
- Average molar mass
- 371.5 g/mol
Names & identifiers
- Preferred name
- (S)-2-phenyl-1-(toluene-4-sulfonyl)-2,5-dihydro-1H-pyrrole-3-carboxylic acid ethyl ester
- IUPAC
- ethyl (2S)-1-(4-methylphenyl)sulfonyl-2-phenyl-2,5-dihydropyrrole-3-carboxylate
Names & synonyms
SCHEMBL5163665QMRVCOQYPZTTAJ-IBGZPJMESA-N(S)-2-phenyl-1-(toluene-4-sulfonyl)-2,5-dihydro-1H-pyrrole-3-carboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 69337074
- Nikkaji
- J3.417.531D
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 623
Related reactions
1 records
Compound notes
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