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

Systemtic Name: [(3S,4S)-4-methylpyrrolidin-3-yl] 4-methylbenzenesulfonate Openeye Name: [(3S,4S)-4-methylpyrrolidin-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(3S,4S)-4-methyl-3-pyrrolidinyl] ester IUPAC Name: [(3S,4S)-4-methylpyrrolidin-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(3S,4S)-4-methylpyrrolidin-3-yl] ester Formula: C12H17NO3S MolecularWeight: 255.33328

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Descriptors Computed from Structure

Canonical SMILES:

CC1CNCC1OS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO3S/c1-9-3-5-11(6-4-9)17(14,15)16-12-8-13-7-10(12)2/h3-6,10,12-13H,7-8H2,1-2H3/t10-,12+/m0/s1