1-pyrrolidin-1-ylethyl 4-methylbenzenesulfonate

Systemtic Name: 1-pyrrolidin-1-ylethyl 4-methylbenzenesulfonate Openeye Name: 1-pyrrolidin-1-ylethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 1-(1-pyrrolidinyl)ethyl ester IUPAC Name: 1-pyrrolidin-1-ylethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 1-pyrrolidinoethyl ester Formula: C13H19NO3S MolecularWeight: 269.35986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO3S/c1-11-5-7-13(8-6-11)18(15,16)17-12(2)14-9-3-4-10-14/h5-8,12H,3-4,9-10H2,1-2H3