tert-butyl (2R)-5-(hydroxymethyl)-2-(oxan-2-yloxymethyl)-3-(phenylsulfonyl)pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2R)-5-(hydroxymethyl)-2-(oxan-2-yloxymethyl)-3-(phenylsulfonyl)pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2R)-3-(benzenesulfonyl)-5-(hydroxymethyl)-2-(tetrahydropyran-2-yloxymethyl)pyrrolidine-1-carboxylate CAS Name: (2R)-3-(benzenesulfonyl)-5-(hydroxymethyl)-2-(2-oxanyloxymethyl)-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2R)-3-(benzenesulfonyl)-5-(hydroxymethyl)-2-(oxan-2-yloxymethyl)pyrrolidine-1-carboxylate Traditional Name: (2R)-3-besyl-5-methylol-2-(tetrahydropyran-2-yloxymethyl)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C22H33NO7S MolecularWeight: 455.56492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(CC(C1COC2CCCCO2)S(=O)(=O)C3=CC=CC=C3)CO

Isomeric SMILES

CC(C)(C)OC(=O)N1[C@@H](C(CC1CO)S(=O)(=O)C2=CC=CC=C2)COC3CCCCO3

InChI

InChI=1S/C22H33NO7S/c1-22(2,3)30-21(25)23-16(14-24)13-19(31(26,27)17-9-5-4-6-10-17)18(23)15-29-20-11-7-8-12-28-20/h4-6,9-10,16,18-20,24H,7-8,11-15H2,1-3H3/t16?,18-,19?,20?/m1/s1