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

Systemtic Name: (4-methylsulfanylphenyl)methyl (2S)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: (4-methylsulfanylphenyl)methyl (2S)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate CAS Name: (2S)-1-(4-methoxyphenyl)sulfonyl-2-pyrrolidinecarboxylic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl (2S)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: (2S)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylic acid [4-(methylthio)benzyl] ester Formula: C20H23NO5S2 MolecularWeight: 421.53032

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)OCC3=CC=C(C=C3)SC

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)OCC3=CC=C(C=C3)SC

InChI

InChI=1S/C20H23NO5S2/c1-25-16-7-11-18(12-8-16)28(23,24)21-13-3-4-19(21)20(22)26-14-15-5-9-17(27-2)10-6-15/h5-12,19H,3-4,13-14H2,1-2H3/t19-/m0/s1