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

Systemtic Name: ethyl 3-[[2,4-bis(fluoranyl)phenyl]methyl]-1-propylsulfonyl-piperidine-3-carboxylate Openeye Name: ethyl 3-[(2,4-difluorophenyl)methyl]-1-propylsulfonyl-piperidine-3-carboxylate CAS Name: 3-[(2,4-difluorophenyl)methyl]-1-propylsulfonyl-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(2,4-difluorophenyl)methyl]-1-propylsulfonylpiperidine-3-carboxylate Traditional Name: 3-(2,4-difluorobenzyl)-1-propylsulfonyl-nipecotic acid ethyl ester Formula: C18H25F2NO4S MolecularWeight: 389.457206

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CCCC(C1)(CC2=C(C=C(C=C2)F)F)C(=O)OCC

Isomeric SMILES

CCCS(=O)(=O)N1CCCC(C1)(CC2=C(C=C(C=C2)F)F)C(=O)OCC

InChI

InChI=1S/C18H25F2NO4S/c1-3-10-26(23,24)21-9-5-8-18(13-21,17(22)25-4-2)12-14-6-7-15(19)11-16(14)20/h6-7,11H,3-5,8-10,12-13H2,1-2H3