(1-propan-2-ylazetidin-3-yl) 4-methylbenzenesulfonate

Systemtic Name: (1-propan-2-ylazetidin-3-yl) 4-methylbenzenesulfonate Openeye Name: (1-isopropylazetidin-3-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (1-propan-2-yl-3-azetidinyl) ester IUPAC Name: (1-propan-2-ylazetidin-3-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (1-isopropylazetidin-3-yl) ester Formula: C13H19NO3S MolecularWeight: 269.35986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CN(C2)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2CN(C2)C(C)C

InChI

InChI=1S/C13H19NO3S/c1-10(2)14-8-12(9-14)17-18(15,16)13-6-4-11(3)5-7-13/h4-7,10,12H,8-9H2,1-3H3