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

Systemtic Name: tert-butyl (2R)-2-(oxan-2-yloxymethyl)-3-(phenylsulfonyl)pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2R)-3-(benzenesulfonyl)-2-(tetrahydropyran-2-yloxymethyl)pyrrolidine-1-carboxylate CAS Name: (2R)-3-(benzenesulfonyl)-2-(2-oxanyloxymethyl)-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2R)-3-(benzenesulfonyl)-2-(oxan-2-yloxymethyl)pyrrolidine-1-carboxylate Traditional Name: (2R)-3-besyl-2-(tetrahydropyran-2-yloxymethyl)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C21H31NO6S MolecularWeight: 425.53894

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(C1COC2CCCCO2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC([C@H]1COC2CCCCO2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H31NO6S/c1-21(2,3)28-20(23)22-13-12-18(29(24,25)16-9-5-4-6-10-16)17(22)15-27-19-11-7-8-14-26-19/h4-6,9-10,17-19H,7-8,11-15H2,1-3H3/t17-,18?,19?/m1/s1