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

Systemtic Name: [(5R)-1-(4-methylphenyl)sulfonyl-5-methylsulfonyloxy-pyrrolidin-3-yl] methanesulfonate Openeye Name: [(5R)-5-methylsulfonyloxy-1-(p-tolylsulfonyl)pyrrolidin-3-yl] methanesulfonate CAS Name: methanesulfonic acid [(5R)-1-(4-methylphenyl)sulfonyl-5-methylsulfonyloxy-3-pyrrolidinyl] ester IUPAC Name: [(5R)-1-(4-methylphenyl)sulfonyl-5-methylsulfonyloxypyrrolidin-3-yl] methanesulfonate Traditional Name: methanesulfonic acid [(5R)-5-methylsulfonyloxy-1-tosyl-pyrrolidin-3-yl] ester Formula: C13H19NO8S3 MolecularWeight: 413.48686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC(CC2OS(=O)(=O)C)OS(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC(C[C@H]2OS(=O)(=O)C)OS(=O)(=O)C

InChI

InChI=1S/C13H19NO8S3/c1-10-4-6-12(7-5-10)25(19,20)14-9-11(21-23(2,15)16)8-13(14)22-24(3,17)18/h4-7,11,13H,8-9H2,1-3H3/t11?,13-/m1/s1