[(3S,5S)-5-methyl-1-(4-methylphenyl)sulfonyl-pyrrolidin-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [(3S,5S)-5-methyl-1-(4-methylphenyl)sulfonyl-pyrrolidin-3-yl] 4-methylbenzenesulfonate Openeye Name: [(3S,5S)-5-methyl-1-(p-tolylsulfonyl)pyrrolidin-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(3S,5S)-5-methyl-1-(4-methylphenyl)sulfonyl-3-pyrrolidinyl] ester IUPAC Name: [(3S,5S)-5-methyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(3S,5S)-5-methyl-1-tosyl-pyrrolidin-3-yl] ester Formula: C19H23NO5S2 MolecularWeight: 409.51962

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN1S(=O)(=O)C2=CC=C(C=C2)C)OS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

C[C@H]1C[C@@H](CN1S(=O)(=O)C2=CC=C(C=C2)C)OS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C19H23NO5S2/c1-14-4-8-18(9-5-14)26(21,22)20-13-17(12-16(20)3)25-27(23,24)19-10-6-15(2)7-11-19/h4-11,16-17H,12-13H2,1-3H3/t16-,17-/m0/s1