[(3S,4R)-2-oxidanylidene-1,4-diphenyl-azetidin-3-yl] 4-nitrobenzenesulfonate

Systemtic Name: [(3S,4R)-2-oxidanylidene-1,4-diphenyl-azetidin-3-yl] 4-nitrobenzenesulfonate Openeye Name: [(3S,4R)-2-oxo-1,4-diphenyl-azetidin-3-yl] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [(3S,4R)-2-oxo-1,4-diphenyl-3-azetidinyl] ester IUPAC Name: [(3S,4R)-2-oxo-1,4-diphenylazetidin-3-yl] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [(3S,4R)-2-keto-1,4-diphenyl-azetidin-3-yl] ester Formula: C21H16N2O6S MolecularWeight: 424.42654

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C(C(=O)N2C3=CC=CC=C3)OS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)[C@@H]2[C@@H](C(=O)N2C3=CC=CC=C3)OS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H16N2O6S/c24-21-20(29-30(27,28)18-13-11-17(12-14-18)23(25)26)19(15-7-3-1-4-8-15)22(21)16-9-5-2-6-10-16/h1-14,19-20H/t19-,20+/m1/s1