(3-fluoranyl-4-methoxy-phenyl)methyl (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl (2S)-1-(p-tolylsulfonyl)pyrrolidine-2-carboxylate CAS Name: (2S)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxylic acid (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: (2S)-1-tosylpyrrolidine-2-carboxylic acid (3-fluoro-4-methoxy-benzyl) ester Formula: C20H22FNO5S MolecularWeight: 407.455783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)OCC3=CC(=C(C=C3)OC)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)OCC3=CC(=C(C=C3)OC)F

InChI

InChI=1S/C20H22FNO5S/c1-14-5-8-16(9-6-14)28(24,25)22-11-3-4-18(22)20(23)27-13-15-7-10-19(26-2)17(21)12-15/h5-10,12,18H,3-4,11,13H2,1-2H3/t18-/m0/s1