(2-bromanyl-4-fluoranyl-phenyl) 4-pyrrolidin-1-ylsulfonylbenzenesulfonate

Systemtic Name: (2-bromanyl-4-fluoranyl-phenyl) 4-pyrrolidin-1-ylsulfonylbenzenesulfonate Openeye Name: (2-bromo-4-fluoro-phenyl) 4-pyrrolidin-1-ylsulfonylbenzenesulfonate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzenesulfonic acid (2-bromo-4-fluorophenyl) ester IUPAC Name: (2-bromo-4-fluorophenyl) 4-pyrrolidin-1-ylsulfonylbenzenesulfonate Traditional Name: 4-pyrrolidinosulfonylbenzenesulfonic acid (2-bromo-4-fluoro-phenyl) ester Formula: C16H15BrFNO5S2 MolecularWeight: 464.326403

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)OC3=C(C=C(C=C3)F)Br

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)OC3=C(C=C(C=C3)F)Br

InChI

InChI=1S/C16H15BrFNO5S2/c17-15-11-12(18)3-8-16(15)24-26(22,23)14-6-4-13(5-7-14)25(20,21)19-9-1-2-10-19/h3-8,11H,1-2,9-10H2