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

Systemtic Name: (4-methoxycarbonylphenyl)methyl (2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: (4-methoxycarbonylphenyl)methyl (2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylate CAS Name: (2S)-1-(2-fluorophenyl)sulfonyl-2-pyrrolidinecarboxylic acid (4-methoxycarbonylphenyl)methyl ester IUPAC Name: (4-methoxycarbonylphenyl)methyl (2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: (2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid (4-carbomethoxybenzyl) ester Formula: C20H20FNO6S MolecularWeight: 421.439303

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)COC(=O)C2CCCN2S(=O)(=O)C3=CC=CC=C3F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)COC(=O)[C@@H]2CCCN2S(=O)(=O)C3=CC=CC=C3F

InChI

InChI=1S/C20H20FNO6S/c1-27-19(23)15-10-8-14(9-11-15)13-28-20(24)17-6-4-12-22(17)29(25,26)18-7-3-2-5-16(18)21/h2-3,5,7-11,17H,4,6,12-13H2,1H3/t17-/m0/s1