(3-oxidanyl-3-pyrrolidin-1-yl-propyl) 4-methylbenzenesulfonate

Systemtic Name: (3-oxidanyl-3-pyrrolidin-1-yl-propyl) 4-methylbenzenesulfonate Openeye Name: (3-hydroxy-3-pyrrolidin-1-yl-propyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-hydroxy-3-(1-pyrrolidinyl)propyl] ester IUPAC Name: (3-hydroxy-3-pyrrolidin-1-ylpropyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (3-hydroxy-3-pyrrolidino-propyl) ester Formula: C14H21NO4S MolecularWeight: 299.38584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21NO4S/c1-12-4-6-13(7-5-12)20(17,18)19-11-8-14(16)15-9-2-3-10-15/h4-7,14,16H,2-3,8-11H2,1H3