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

Systemtic Name: ethyl 3-[[2,4-bis(fluoranyl)phenyl]methyl]-1-methylsulfonyl-piperidine-3-carboxylate Openeye Name: ethyl 3-[(2,4-difluorophenyl)methyl]-1-methylsulfonyl-piperidine-3-carboxylate CAS Name: 3-[(2,4-difluorophenyl)methyl]-1-methylsulfonyl-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(2,4-difluorophenyl)methyl]-1-methylsulfonylpiperidine-3-carboxylate Traditional Name: 3-(2,4-difluorobenzyl)-1-mesyl-nipecotic acid ethyl ester Formula: C16H21F2NO4S MolecularWeight: 361.404046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)S(=O)(=O)C)CC2=C(C=C(C=C2)F)F

Isomeric SMILES

CCOC(=O)C1(CCCN(C1)S(=O)(=O)C)CC2=C(C=C(C=C2)F)F

InChI

InChI=1S/C16H21F2NO4S/c1-3-23-15(20)16(7-4-8-19(11-16)24(2,21)22)10-12-5-6-13(17)9-14(12)18/h5-6,9H,3-4,7-8,10-11H2,1-2H3