[4-(4-methylphenyl)sulfonyloxy-1-(phenylmethyl)pyrrolidin-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [4-(4-methylphenyl)sulfonyloxy-1-(phenylmethyl)pyrrolidin-3-yl] 4-methylbenzenesulfonate Openeye Name: [1-benzyl-4-(p-tolylsulfonyloxy)pyrrolidin-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-(4-methylphenyl)sulfonyloxy-1-(phenylmethyl)-3-pyrrolidinyl] ester IUPAC Name: [1-benzyl-4-(4-methylphenyl)sulfonyloxypyrrolidin-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (1-benzyl-4-tosyloxy-pyrrolidin-3-yl) ester Formula: C25H27NO6S2 MolecularWeight: 501.61498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CN(CC2OS(=O)(=O)C3=CC=C(C=C3)C)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2CN(CC2OS(=O)(=O)C3=CC=C(C=C3)C)CC4=CC=CC=C4

InChI

InChI=1S/C25H27NO6S2/c1-19-8-12-22(13-9-19)33(27,28)31-24-17-26(16-21-6-4-3-5-7-21)18-25(24)32-34(29,30)23-14-10-20(2)11-15-23/h3-15,24-25H,16-18H2,1-2H3