(2-oxidanyl-2-pyrrolidin-1-yl-ethyl) 4-methylbenzenesulfonate

Systemtic Name: (2-oxidanyl-2-pyrrolidin-1-yl-ethyl) 4-methylbenzenesulfonate Openeye Name: (2-hydroxy-2-pyrrolidin-1-yl-ethyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-hydroxy-2-(1-pyrrolidinyl)ethyl] ester IUPAC Name: (2-hydroxy-2-pyrrolidin-1-ylethyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-hydroxy-2-pyrrolidino-ethyl) ester Formula: C13H19NO4S MolecularWeight: 285.35926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(N2CCCC2)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(N2CCCC2)O

InChI

InChI=1S/C13H19NO4S/c1-11-4-6-12(7-5-11)19(16,17)18-10-13(15)14-8-2-3-9-14/h4-7,13,15H,2-3,8-10H2,1H3