[2-(hydroxymethyl)-1-(phenylsulfonyl)pyrrolidin-3-yl] methanesulfonate

Systemtic Name: [2-(hydroxymethyl)-1-(phenylsulfonyl)pyrrolidin-3-yl] methanesulfonate Openeye Name: [1-(benzenesulfonyl)-2-(hydroxymethyl)pyrrolidin-3-yl] methanesulfonate CAS Name: methanesulfonic acid [1-(benzenesulfonyl)-2-(hydroxymethyl)-3-pyrrolidinyl] ester IUPAC Name: [1-(benzenesulfonyl)-2-(hydroxymethyl)pyrrolidin-3-yl] methanesulfonate Traditional Name: methanesulfonic acid (1-besyl-2-methylol-pyrrolidin-3-yl) ester Formula: C12H17NO6S2 MolecularWeight: 335.39648

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1CCN(C1CO)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CS(=O)(=O)OC1CCN(C1CO)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C12H17NO6S2/c1-20(15,16)19-12-7-8-13(11(12)9-14)21(17,18)10-5-3-2-4-6-10/h2-6,11-12,14H,7-9H2,1H3