[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl] 2-chloranyl-4-fluoranyl-benzenesulfonate

Systemtic Name: [3-(2-oxidanylidenepyrrolidin-1-yl)phenyl] 2-chloranyl-4-fluoranyl-benzenesulfonate Openeye Name: [3-(2-oxopyrrolidin-1-yl)phenyl] 2-chloro-4-fluoro-benzenesulfonate CAS Name: 2-chloro-4-fluorobenzenesulfonic acid [3-(2-oxo-1-pyrrolidinyl)phenyl] ester IUPAC Name: [3-(2-oxopyrrolidin-1-yl)phenyl] 2-chloro-4-fluorobenzenesulfonate Traditional Name: 2-chloro-4-fluoro-benzenesulfonic acid [3-(2-ketopyrrolidino)phenyl] ester Formula: C16H13ClFNO4S MolecularWeight: 369.795123

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13ClFNO4S/c17-14-9-11(18)6-7-15(14)24(21,22)23-13-4-1-3-12(10-13)19-8-2-5-16(19)20/h1,3-4,6-7,9-10H,2,5,8H2