[(3S,4S)-4-methoxypyrrolidin-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [(3S,4S)-4-methoxypyrrolidin-3-yl] 4-methylbenzenesulfonate Openeye Name: [(3S,4S)-4-methoxypyrrolidin-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(3S,4S)-4-methoxy-3-pyrrolidinyl] ester IUPAC Name: [(3S,4S)-4-methoxypyrrolidin-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(3S,4S)-4-methoxypyrrolidin-3-yl] ester Formula: C12H17NO4S MolecularWeight: 271.33268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CNCC2OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@H]2CNC[C@@H]2OC

InChI

InChI=1S/C12H17NO4S/c1-9-3-5-10(6-4-9)18(14,15)17-12-8-13-7-11(12)16-2/h3-6,11-13H,7-8H2,1-2H3/t11-,12-/m0/s1