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

Systemtic Name: ethyl (3S)-3-[[2,4-bis(fluoranyl)phenyl]methyl]-1-thiophen-3-ylsulfonyl-piperidine-3-carboxylate Openeye Name: ethyl (3S)-3-[(2,4-difluorophenyl)methyl]-1-(3-thienylsulfonyl)piperidine-3-carboxylate CAS Name: (3S)-3-[(2,4-difluorophenyl)methyl]-1-(3-thiophenylsulfonyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-[(2,4-difluorophenyl)methyl]-1-thiophen-3-ylsulfonylpiperidine-3-carboxylate Traditional Name: (3S)-3-(2,4-difluorobenzyl)-1-(3-thienylsulfonyl)nipecotic acid ethyl ester Formula: C19H21F2NO4S2 MolecularWeight: 429.501146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21F2NO4S2/c1-2-26-18(23)19(11-14-4-5-15(20)10-17(14)21)7-3-8-22(13-19)28(24,25)16-6-9-27-12-16/h4-6,9-10,12H,2-3,7-8,11,13H2,1H3/t19-/m0/s1