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

Systemtic Name: [(3S,4R)-2-oxidanylidene-1,4-diphenyl-azetidin-3-yl] 4-bromanylbenzenesulfonate Openeye Name: [(3S,4R)-2-oxo-1,4-diphenyl-azetidin-3-yl] 4-bromobenzenesulfonate CAS Name: 4-bromobenzenesulfonic acid [(3S,4R)-2-oxo-1,4-diphenyl-3-azetidinyl] ester IUPAC Name: [(3S,4R)-2-oxo-1,4-diphenylazetidin-3-yl] 4-bromobenzenesulfonate Traditional Name: 4-bromobenzenesulfonic acid [(3S,4R)-2-keto-1,4-diphenyl-azetidin-3-yl] ester Formula: C21H16BrNO4S MolecularWeight: 458.32504

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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)Br

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)Br

InChI

InChI=1S/C21H16BrNO4S/c22-16-11-13-18(14-12-16)28(25,26)27-20-19(15-7-3-1-4-8-15)23(21(20)24)17-9-5-2-6-10-17/h1-14,19-20H/t19-,20+/m1/s1