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

Systemtic Name: [5-(hydroxymethyl)-1-(4-methylphenyl)sulfonyl-pyrrolidin-3-yl] 4-methylbenzenesulfonate Openeye Name: [5-(hydroxymethyl)-1-(p-tolylsulfonyl)pyrrolidin-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [5-(hydroxymethyl)-1-(4-methylphenyl)sulfonyl-3-pyrrolidinyl] ester IUPAC Name: [5-(hydroxymethyl)-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (5-methylol-1-tosyl-pyrrolidin-3-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(CC2CO)OS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC(CC2CO)OS(=O)(=O)C3=CC=C(C=C3)C

InChI

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