(2-cyanophenyl)methyl (2S)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate

Systemtic Name: (2-cyanophenyl)methyl (2S)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: (2-cyanophenyl)methyl (2S)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate CAS Name: (2S)-1-(4-methoxyphenyl)sulfonyl-2-pyrrolidinecarboxylic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl (2S)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: (2S)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylic acid (2-cyanobenzyl) ester Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)OCC3=CC=CC=C3C#N

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)OCC3=CC=CC=C3C#N

InChI

InChI=1S/C20H20N2O5S/c1-26-17-8-10-18(11-9-17)28(24,25)22-12-4-7-19(22)20(23)27-14-16-6-3-2-5-15(16)13-21/h2-3,5-6,8-11,19H,4,7,12,14H2,1H3/t19-/m0/s1