(phenylmethyl) (2S,3S,5S)-5-tert-butyl-1-(4-methylphenyl)sulfonyl-3-oxidanyl-3-phenyl-pyrrolidine-2-carboxylate

Systemtic Name: (phenylmethyl) (2S,3S,5S)-5-tert-butyl-1-(4-methylphenyl)sulfonyl-3-oxidanyl-3-phenyl-pyrrolidine-2-carboxylate Openeye Name: benzyl (2S,3S,5S)-5-tert-butyl-3-hydroxy-3-phenyl-1-(p-tolylsulfonyl)pyrrolidine-2-carboxylate CAS Name: (2S,3S,5S)-5-tert-butyl-3-hydroxy-1-(4-methylphenyl)sulfonyl-3-phenyl-2-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S,3S,5S)-5-tert-butyl-3-hydroxy-1-(4-methylphenyl)sulfonyl-3-phenylpyrrolidine-2-carboxylate Traditional Name: (2S,3S,5S)-5-tert-butyl-3-hydroxy-3-phenyl-1-tosyl-pyrrolidine-2-carboxylic acid benzyl ester Formula: C29H33NO5S MolecularWeight: 507.64102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(CC(C2C(=O)OCC3=CC=CC=C3)(C4=CC=CC=C4)O)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2[C@@H](C[C@@]([C@H]2C(=O)OCC3=CC=CC=C3)(C4=CC=CC=C4)O)C(C)(C)C

InChI

InChI=1S/C29H33NO5S/c1-21-15-17-24(18-16-21)36(33,34)30-25(28(2,3)4)19-29(32,23-13-9-6-10-14-23)26(30)27(31)35-20-22-11-7-5-8-12-22/h5-18,25-26,32H,19-20H2,1-4H3/t25-,26+,29-/m0/s1