(phenylmethyl) (2S,3S,4S)-1-(4-methylphenyl)sulfonyl-3-oxidanyl-4-propan-2-yl-pyrrolidine-2-carboxylate

Systemtic Name: (phenylmethyl) (2S,3S,4S)-1-(4-methylphenyl)sulfonyl-3-oxidanyl-4-propan-2-yl-pyrrolidine-2-carboxylate Openeye Name: benzyl (2S,3S,4S)-3-hydroxy-4-isopropyl-1-(p-tolylsulfonyl)pyrrolidine-2-carboxylate CAS Name: (2S,3S,4S)-3-hydroxy-1-(4-methylphenyl)sulfonyl-4-propan-2-yl-2-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S,3S,4S)-3-hydroxy-1-(4-methylphenyl)sulfonyl-4-propan-2-ylpyrrolidine-2-carboxylate Traditional Name: (2S,3S,4S)-3-hydroxy-4-isopropyl-1-tosyl-pyrrolidine-2-carboxylic acid benzyl ester Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC(C(C2C(=O)OCC3=CC=CC=C3)O)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO5S/c1-15(2)19-13-23(29(26,27)18-11-9-16(3)10-12-18)20(21(19)24)22(25)28-14-17-7-5-4-6-8-17/h4-12,15,19-21,24H,13-14H2,1-3H3/t19-,20+,21+/m1/s1