[(2S,4R)-1-methyl-4-(4-methylphenyl)sulfonyloxy-pyrrolidin-2-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [(2S,4R)-1-methyl-4-(4-methylphenyl)sulfonyloxy-pyrrolidin-2-yl]methyl 4-methylbenzenesulfonate Openeye Name: [(2S,4R)-1-methyl-4-(p-tolylsulfonyloxy)pyrrolidin-2-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S,4R)-1-methyl-4-(4-methylphenyl)sulfonyloxy-2-pyrrolidinyl]methyl ester IUPAC Name: [(2S,4R)-1-methyl-4-(4-methylphenyl)sulfonyloxypyrrolidin-2-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S,4R)-1-methyl-4-tosyloxy-pyrrolidin-2-yl]methyl ester Formula: C20H25NO6S2 MolecularWeight: 439.5456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2CC(CN2C)OS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H]2C[C@H](CN2C)OS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C20H25NO6S2/c1-15-4-8-19(9-5-15)28(22,23)26-14-17-12-18(13-21(17)3)27-29(24,25)20-10-6-16(2)7-11-20/h4-11,17-18H,12-14H2,1-3H3/t17-,18+/m0/s1