methyl 1-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: methyl 1-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]carbonylpiperidine-4-carboxylate Openeye Name: methyl 1-[1-[(4-fluorophenyl)methylsulfonyl]piperidine-4-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[1-[(4-fluorophenyl)methylsulfonyl]-4-piperidinyl]-oxomethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[1-[(4-fluorophenyl)methylsulfonyl]piperidine-4-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[1-(4-fluorobenzyl)sulfonylisonipecotoyl]isonipecotic acid methyl ester Formula: C20H27FN2O5S MolecularWeight: 426.502183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=C(C=C3)F

InChI

InChI=1S/C20H27FN2O5S/c1-28-20(25)17-6-10-22(11-7-17)19(24)16-8-12-23(13-9-16)29(26,27)14-15-2-4-18(21)5-3-15/h2-5,16-17H,6-14H2,1H3