(4-bromanyl-2-fluoranyl-phenyl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: (4-bromanyl-2-fluoranyl-phenyl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: (4-bromo-2-fluoro-phenyl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid (4-bromo-2-fluorophenyl)methyl ester IUPAC Name: (4-bromo-2-fluorophenyl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid (4-bromo-2-fluoro-benzyl) ester Formula: C18H17BrFNO4S MolecularWeight: 442.299283

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=C(C=C(C=C3)Br)F

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C18H17BrFNO4S/c19-15-7-6-14(17(20)11-15)12-25-18(22)13-4-3-5-16(10-13)26(23,24)21-8-1-2-9-21/h3-7,10-11H,1-2,8-9,12H2