(4-ethylphenyl) 1-[3,4-bis(fluoranyl)phenyl]sulfonylpiperidine-4-carboxylate

Systemtic Name: (4-ethylphenyl) 1-[3,4-bis(fluoranyl)phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: (4-ethylphenyl) 1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(3,4-difluorophenyl)sulfonyl-4-piperidinecarboxylic acid (4-ethylphenyl) ester IUPAC Name: (4-ethylphenyl) 1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(3,4-difluorophenyl)sulfonylisonipecotic acid (4-ethylphenyl) ester Formula: C20H21F2NO4S MolecularWeight: 409.446846

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)F

Isomeric SMILES

CCC1=CC=C(C=C1)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)F

InChI

InChI=1S/C20H21F2NO4S/c1-2-14-3-5-16(6-4-14)27-20(24)15-9-11-23(12-10-15)28(25,26)17-7-8-18(21)19(22)13-17/h3-8,13,15H,2,9-12H2,1H3