3-[(4-fluorophenyl)methylsulfanyl]-1-methylsulfonyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 3-[(4-fluorophenyl)methylsulfanyl]-1-methylsulfonyl-pyrrolidine-2-carboxylic acid Openeye Name: 3-[(4-fluorophenyl)methylsulfanyl]-1-methylsulfonyl-pyrrolidine-2-carboxylic acid CAS Name: 3-[(4-fluorophenyl)methylthio]-1-methylsulfonyl-2-pyrrolidinecarboxylic acid IUPAC Name: 3-[(4-fluorophenyl)methylsulfanyl]-1-methylsulfonylpyrrolidine-2-carboxylic acid Traditional Name: 3-[(4-fluorobenzyl)thio]-1-mesyl-proline Formula: C13H16FNO4S2 MolecularWeight: 333.398843

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(C1C(=O)O)SCC2=CC=C(C=C2)F

Isomeric SMILES

CS(=O)(=O)N1CCC(C1C(=O)O)SCC2=CC=C(C=C2)F

InChI

InChI=1S/C13H16FNO4S2/c1-21(18,19)15-7-6-11(12(15)13(16)17)20-8-9-2-4-10(14)5-3-9/h2-5,11-12H,6-8H2,1H3,(H,16,17)