(4-methoxycarbonylphenyl)methyl (2S,4S)-1-(3,4-dimethylphenyl)sulfonyl-4-oxidanyl-pyrrolidine-2-carboxylate

Systemtic Name: (4-methoxycarbonylphenyl)methyl (2S,4S)-1-(3,4-dimethylphenyl)sulfonyl-4-oxidanyl-pyrrolidine-2-carboxylate Openeye Name: (4-methoxycarbonylphenyl)methyl (2S,4S)-1-(3,4-dimethylphenyl)sulfonyl-4-hydroxy-pyrrolidine-2-carboxylate CAS Name: (2S,4S)-1-(3,4-dimethylphenyl)sulfonyl-4-hydroxy-2-pyrrolidinecarboxylic acid (4-methoxycarbonylphenyl)methyl ester IUPAC Name: (4-methoxycarbonylphenyl)methyl (2S,4S)-1-(3,4-dimethylphenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylate Traditional Name: (2S,4S)-1-(3,4-dimethylphenyl)sulfonyl-4-hydroxy-pyrrolidine-2-carboxylic acid (4-carbomethoxybenzyl) ester Formula: C22H25NO7S MolecularWeight: 447.5014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CC(CC2C(=O)OCC3=CC=C(C=C3)C(=O)OC)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2C[C@H](C[C@H]2C(=O)OCC3=CC=C(C=C3)C(=O)OC)O)C

InChI

InChI=1S/C22H25NO7S/c1-14-4-9-19(10-15(14)2)31(27,28)23-12-18(24)11-20(23)22(26)30-13-16-5-7-17(8-6-16)21(25)29-3/h4-10,18,20,24H,11-13H2,1-3H3/t18-,20-/m0/s1