[1-[2-(1,3-benzodioxol-5-yl)ethyl]pyrrolidin-3-yl] methanesulfonate

Systemtic Name: [1-[2-(1,3-benzodioxol-5-yl)ethyl]pyrrolidin-3-yl] methanesulfonate Openeye Name: [1-[2-(1,3-benzodioxol-5-yl)ethyl]pyrrolidin-3-yl] methanesulfonate CAS Name: methanesulfonic acid [1-[2-(1,3-benzodioxol-5-yl)ethyl]-3-pyrrolidinyl] ester IUPAC Name: [1-[2-(1,3-benzodioxol-5-yl)ethyl]pyrrolidin-3-yl] methanesulfonate Traditional Name: methanesulfonic acid (1-homopiperonylpyrrolidin-3-yl) ester Formula: C14H19NO5S MolecularWeight: 313.36936

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1CCN(C1)CCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CS(=O)(=O)OC1CCN(C1)CCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C14H19NO5S/c1-21(16,17)20-12-5-7-15(9-12)6-4-11-2-3-13-14(8-11)19-10-18-13/h2-3,8,12H,4-7,9-10H2,1H3