(2-oxidanylidene-4-phenethyl-azetidin-1-yl) 4-methylbenzenesulfonate

Systemtic Name: (2-oxidanylidene-4-phenethyl-azetidin-1-yl) 4-methylbenzenesulfonate Openeye Name: (2-oxo-4-phenethyl-azetidin-1-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2-oxo-4-phenethyl-1-azetidinyl) ester IUPAC Name: (2-oxo-4-phenethylazetidin-1-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-keto-4-phenethyl-azetidin-1-yl) ester Formula: C18H19NO4S MolecularWeight: 345.41276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ON2C(CC2=O)CCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)ON2C(CC2=O)CCC3=CC=CC=C3

InChI

InChI=1S/C18H19NO4S/c1-14-7-11-17(12-8-14)24(21,22)23-19-16(13-18(19)20)10-9-15-5-3-2-4-6-15/h2-8,11-12,16H,9-10,13H2,1H3