(4-bromanyl-2-fluoranyl-phenyl)methyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: (4-bromanyl-2-fluoranyl-phenyl)methyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Openeye Name: (4-bromo-2-fluoro-phenyl)methyl 1-(2-thienylsulfonyl)piperidine-4-carboxylate CAS Name: 1-thiophen-2-ylsulfonyl-4-piperidinecarboxylic acid (4-bromo-2-fluorophenyl)methyl ester IUPAC Name: (4-bromo-2-fluorophenyl)methyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-thienylsulfonyl)isonipecotic acid (4-bromo-2-fluoro-benzyl) ester Formula: C17H17BrFNO4S2 MolecularWeight: 462.353583

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=C(C=C(C=C2)Br)F)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=C(C=C(C=C2)Br)F)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C17H17BrFNO4S2/c18-14-4-3-13(15(19)10-14)11-24-17(21)12-5-7-20(8-6-12)26(22,23)16-2-1-9-25-16/h1-4,9-10,12H,5-8,11H2