(4-methylsulfanylphenyl)methyl (2S)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylate

Systemtic Name: (4-methylsulfanylphenyl)methyl (2S)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: (4-methylsulfanylphenyl)methyl (2S)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylate CAS Name: (2S)-1-(4-fluorophenyl)sulfonyl-2-pyrrolidinecarboxylic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl (2S)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: (2S)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid [4-(methylthio)benzyl] ester Formula: C19H20FNO4S2 MolecularWeight: 409.494803

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)COC(=O)C2CCCN2S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CSC1=CC=C(C=C1)COC(=O)[C@@H]2CCCN2S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H20FNO4S2/c1-26-16-8-4-14(5-9-16)13-25-19(22)18-3-2-12-21(18)27(23,24)17-10-6-15(20)7-11-17/h4-11,18H,2-3,12-13H2,1H3/t18-/m0/s1