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

Systemtic Name: [(4R)-1-(4-methylphenyl)sulfonyl-4-(4-methylphenyl)sulfonyloxy-pyrrolidin-2-yl]methyl 4-methylbenzenesulfonate Openeye Name: [(4R)-1-(p-tolylsulfonyl)-4-(p-tolylsulfonyloxy)pyrrolidin-2-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(4R)-1-(4-methylphenyl)sulfonyl-4-(4-methylphenyl)sulfonyloxy-2-pyrrolidinyl]methyl ester IUPAC Name: [(4R)-1-(4-methylphenyl)sulfonyl-4-(4-methylphenyl)sulfonyloxypyrrolidin-2-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(4R)-1-tosyl-4-tosyloxy-pyrrolidin-2-yl]methyl ester Formula: C26H29NO8S3 MolecularWeight: 579.70536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC(CC2COS(=O)(=O)C3=CC=C(C=C3)C)OS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C[C@@H](CC2COS(=O)(=O)C3=CC=C(C=C3)C)OS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C26H29NO8S3/c1-19-4-10-24(11-5-19)36(28,29)27-17-23(35-38(32,33)26-14-8-21(3)9-15-26)16-22(27)18-34-37(30,31)25-12-6-20(2)7-13-25/h4-15,22-23H,16-18H2,1-3H3/t22?,23-/m1/s1