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

Systemtic Name: [1-[(4-methylphenyl)sulfonyl-(4-methylphenyl)sulfonyloxy-methyl]pyrrolidin-3-yl] 4-methylbenzenesulfonate Openeye Name: [1-[p-tolylsulfonyl(p-tolylsulfonyloxy)methyl]pyrrolidin-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [1-[(4-methylphenyl)sulfonyl-(4-methylphenyl)sulfonyloxymethyl]-3-pyrrolidinyl] ester IUPAC Name: [1-[(4-methylphenyl)sulfonyl-(4-methylphenyl)sulfonyloxymethyl]pyrrolidin-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [1-[tosyl(tosyloxy)methyl]pyrrolidin-3-yl] ester Formula: C26H29NO8S3 MolecularWeight: 579.70536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(N2CCC(C2)OS(=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)C(N2CCC(C2)OS(=O)(=O)C3=CC=C(C=C3)C)OS(=O)(=O)C4=CC=C(C=C4)C

InChI

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