[3-[1-(thiophen-2-ylmethyl)piperidin-4-yl]carbonylphenyl] 2,3,4-tris(fluoranyl)benzenesulfonate

Systemtic Name: [3-[1-(thiophen-2-ylmethyl)piperidin-4-yl]carbonylphenyl] 2,3,4-tris(fluoranyl)benzenesulfonate Openeye Name: [3-[1-(2-thienylmethyl)piperidine-4-carbonyl]phenyl] 2,3,4-trifluorobenzenesulfonate CAS Name: 2,3,4-trifluorobenzenesulfonic acid [3-[oxo-[1-(thiophen-2-ylmethyl)-4-piperidinyl]methyl]phenyl] ester IUPAC Name: [3-[1-(thiophen-2-ylmethyl)piperidine-4-carbonyl]phenyl] 2,3,4-trifluorobenzenesulfonate Traditional Name: 2,3,4-trifluorobenzenesulfonic acid [3-[1-(2-thenyl)isonipecotoyl]phenyl] ester Formula: C23H20F3NO4S2 MolecularWeight: 495.53441

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)C2=CC(=CC=C2)OS(=O)(=O)C3=C(C(=C(C=C3)F)F)F)CC4=CC=CS4

Isomeric SMILES

C1CN(CCC1C(=O)C2=CC(=CC=C2)OS(=O)(=O)C3=C(C(=C(C=C3)F)F)F)CC4=CC=CS4

InChI

InChI=1S/C23H20F3NO4S2/c24-19-6-7-20(22(26)21(19)25)33(29,30)31-17-4-1-3-16(13-17)23(28)15-8-10-27(11-9-15)14-18-5-2-12-32-18/h1-7,12-13,15H,8-11,14H2