[1-(4-methylphenyl)sulfonyl-5-(oxan-3-yloxymethyl)pyrrolidin-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [1-(4-methylphenyl)sulfonyl-5-(oxan-3-yloxymethyl)pyrrolidin-3-yl] 4-methylbenzenesulfonate Openeye Name: [1-(p-tolylsulfonyl)-5-(tetrahydropyran-3-yloxymethyl)pyrrolidin-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [1-(4-methylphenyl)sulfonyl-5-(3-oxanyloxymethyl)-3-pyrrolidinyl] ester IUPAC Name: [1-(4-methylphenyl)sulfonyl-5-(oxan-3-yloxymethyl)pyrrolidin-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [5-(tetrahydropyran-3-yloxymethyl)-1-tosyl-pyrrolidin-3-yl] ester Formula: C24H31NO7S2 MolecularWeight: 509.63544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC(CC2COC3CCCOC3)OS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC(CC2COC3CCCOC3)OS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C24H31NO7S2/c1-18-5-9-23(10-6-18)33(26,27)25-15-22(14-20(25)16-31-21-4-3-13-30-17-21)32-34(28,29)24-11-7-19(2)8-12-24/h5-12,20-22H,3-4,13-17H2,1-2H3