[2-(2,6-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-(2,6-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-(2,6-dimethyl-1-piperidyl)-2-oxo-ethyl] 4-fluoro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-fluoro-3-(1-piperidinylsulfonyl)benzoic acid [2-(2,6-dimethyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 4-fluoro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-fluoro-3-piperidinosulfonyl-benzoic acid [2-(2,6-dimethylpiperidino)-2-keto-ethyl] ester Formula: C21H29FN2O5S MolecularWeight: 440.528763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)COC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCCCC3)C

Isomeric SMILES

CC1CCCC(N1C(=O)COC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCCCC3)C

InChI

InChI=1S/C21H29FN2O5S/c1-15-7-6-8-16(2)24(15)20(25)14-29-21(26)17-9-10-18(22)19(13-17)30(27,28)23-11-4-3-5-12-23/h9-10,13,15-16H,3-8,11-12,14H2,1-2H3