[(2R,3R,4R,5S)-2,5-dimethyl-1-(4-methylphenyl)sulfonyl-4-methylsulfonyloxy-pyrrolidin-3-yl] methanesulfonate

Systemtic Name: [(2R,3R,4R,5S)-2,5-dimethyl-1-(4-methylphenyl)sulfonyl-4-methylsulfonyloxy-pyrrolidin-3-yl] methanesulfonate Openeye Name: [(2R,3R,4R,5S)-2,5-dimethyl-4-methylsulfonyloxy-1-(p-tolylsulfonyl)pyrrolidin-3-yl] methanesulfonate CAS Name: methanesulfonic acid [(2R,3R,4R,5S)-2,5-dimethyl-1-(4-methylphenyl)sulfonyl-4-methylsulfonyloxy-3-pyrrolidinyl] ester IUPAC Name: [(2R,3R,4R,5S)-2,5-dimethyl-1-(4-methylphenyl)sulfonyl-4-methylsulfonyloxypyrrolidin-3-yl] methanesulfonate Traditional Name: methanesulfonic acid [(2R,3R,4R,5S)-2,5-dimethyl-4-methylsulfonyloxy-1-tosyl-pyrrolidin-3-yl] ester Formula: C15H23NO8S3 MolecularWeight: 441.54002

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(N1S(=O)(=O)C2=CC=C(C=C2)C)C)OS(=O)(=O)C)OS(=O)(=O)C

Isomeric SMILES

C[C@@H]1[C@H]([C@@H]([C@@H](N1S(=O)(=O)C2=CC=C(C=C2)C)C)OS(=O)(=O)C)OS(=O)(=O)C

InChI

InChI=1S/C15H23NO8S3/c1-10-6-8-13(9-7-10)27(21,22)16-11(2)14(23-25(4,17)18)15(12(16)3)24-26(5,19)20/h6-9,11-12,14-15H,1-5H3/t11-,12+,14-,15-/m1/s1