[(3S,4S)-1-(4-iodophenyl)-4-methylsulfonyloxy-pyrrolidin-3-yl] methanesulfonate

Systemtic Name: [(3S,4S)-1-(4-iodophenyl)-4-methylsulfonyloxy-pyrrolidin-3-yl] methanesulfonate Openeye Name: [(3S,4S)-1-(4-iodophenyl)-4-methylsulfonyloxy-pyrrolidin-3-yl] methanesulfonate CAS Name: methanesulfonic acid [(3S,4S)-1-(4-iodophenyl)-4-methylsulfonyloxy-3-pyrrolidinyl] ester IUPAC Name: [(3S,4S)-1-(4-iodophenyl)-4-methylsulfonyloxypyrrolidin-3-yl] methanesulfonate Traditional Name: methanesulfonic acid [(3S,4S)-1-(4-iodophenyl)-4-methylsulfonyloxy-pyrrolidin-3-yl] ester Formula: C12H16INO6S2 MolecularWeight: 461.29301

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1CN(CC1OS(=O)(=O)C)C2=CC=C(C=C2)I

Isomeric SMILES

CS(=O)(=O)O[C@H]1CN(C[C@@H]1OS(=O)(=O)C)C2=CC=C(C=C2)I

InChI

InChI=1S/C12H16INO6S2/c1-21(15,16)19-11-7-14(8-12(11)20-22(2,17)18)10-5-3-9(13)4-6-10/h3-6,11-12H,7-8H2,1-2H3/t11-,12-/m0/s1