ethyl (3S)-3-[[2,4-bis(fluoranyl)phenyl]methyl]-1-pyridin-3-ylsulfonyl-piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-3-[[2,4-bis(fluoranyl)phenyl]methyl]-1-pyridin-3-ylsulfonyl-piperidine-3-carboxylate Openeye Name: ethyl (3S)-3-[(2,4-difluorophenyl)methyl]-1-(3-pyridylsulfonyl)piperidine-3-carboxylate CAS Name: (3S)-3-[(2,4-difluorophenyl)methyl]-1-(3-pyridinylsulfonyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-[(2,4-difluorophenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-3-carboxylate Traditional Name: (3S)-3-(2,4-difluorobenzyl)-1-(3-pyridylsulfonyl)nipecotic acid ethyl ester Formula: C20H22F2N2O4S MolecularWeight: 424.461486

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)S(=O)(=O)C2=CN=CC=C2)CC3=C(C=C(C=C3)F)F

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)S(=O)(=O)C2=CN=CC=C2)CC3=C(C=C(C=C3)F)F

InChI

InChI=1S/C20H22F2N2O4S/c1-2-28-19(25)20(12-15-6-7-16(21)11-18(15)22)8-4-10-24(14-20)29(26,27)17-5-3-9-23-13-17/h3,5-7,9,11,13H,2,4,8,10,12,14H2,1H3/t20-/m0/s1