[4-(hydroxymethyl)-1-(4-methylphenyl)sulfonyl-pyrrolidin-2-yl] 4-methylbenzenesulfonate

Systemtic Name: [4-(hydroxymethyl)-1-(4-methylphenyl)sulfonyl-pyrrolidin-2-yl] 4-methylbenzenesulfonate Openeye Name: [4-(hydroxymethyl)-1-(p-tolylsulfonyl)pyrrolidin-2-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-(hydroxymethyl)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl] ester IUPAC Name: [4-(hydroxymethyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (4-methylol-1-tosyl-pyrrolidin-2-yl) ester Formula: C19H23NO6S2 MolecularWeight: 425.51902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC(CC2OS(=O)(=O)C3=CC=C(C=C3)C)CO

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC(CC2OS(=O)(=O)C3=CC=C(C=C3)C)CO

InChI

InChI=1S/C19H23NO6S2/c1-14-3-7-17(8-4-14)27(22,23)20-12-16(13-21)11-19(20)26-28(24,25)18-9-5-15(2)6-10-18/h3-10,16,19,21H,11-13H2,1-2H3