(3,3-dideuterio-2-oxidanylidene-4-phenyl-azetidin-1-yl) 4-methylbenzenesulfonate

Systemtic Name: (3,3-dideuterio-2-oxidanylidene-4-phenyl-azetidin-1-yl) 4-methylbenzenesulfonate Openeye Name: (3,3-dideuterio-2-oxo-4-phenyl-azetidin-1-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (3,3-dideuterio-2-oxo-4-phenyl-1-azetidinyl) ester IUPAC Name: (3,3-dideuterio-2-oxo-4-phenylazetidin-1-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (3,3-dideuterio-2-keto-4-phenyl-azetidin-1-yl) ester Formula: C16H15NO4S MolecularWeight: 319.371924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

[2H]C1(C(N(C1=O)OS(=O)(=O)C2=CC=C(C=C2)C)C3=CC=CC=C3)[2H]

InChI

InChI=1S/C16H15NO4S/c1-12-7-9-14(10-8-12)22(19,20)21-17-15(11-16(17)18)13-5-3-2-4-6-13/h2-10,15H,11H2,1H3/i11D2