[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl] 3-bromanylbenzenesulfonate

Systemtic Name: [4-(2-oxidanylidenepyrrolidin-1-yl)phenyl] 3-bromanylbenzenesulfonate Openeye Name: [4-(2-oxopyrrolidin-1-yl)phenyl] 3-bromobenzenesulfonate CAS Name: 3-bromobenzenesulfonic acid [4-(2-oxo-1-pyrrolidinyl)phenyl] ester IUPAC Name: [4-(2-oxopyrrolidin-1-yl)phenyl] 3-bromobenzenesulfonate Traditional Name: 3-bromobenzenesulfonic acid [4-(2-ketopyrrolidino)phenyl] ester Formula: C16H14BrNO4S MolecularWeight: 396.25566

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=C(C=C2)OS(=O)(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=C(C=C2)OS(=O)(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C16H14BrNO4S/c17-12-3-1-4-15(11-12)23(20,21)22-14-8-6-13(7-9-14)18-10-2-5-16(18)19/h1,3-4,6-9,11H,2,5,10H2