[2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-(isobutylamino)-2-oxo-ethyl] 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-fluorophenyl)sulfonyl-4-piperidinecarboxylic acid [2-(2-methylpropylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylamino)-2-oxoethyl] 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-fluorophenyl)sulfonylisonipecotic acid [2-(isobutylamino)-2-keto-ethyl] ester Formula: C18H25FN2O5S MolecularWeight: 400.464903

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)COC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CC(C)CNC(=O)COC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C18H25FN2O5S/c1-13(2)11-20-17(22)12-26-18(23)14-7-9-21(10-8-14)27(24,25)16-5-3-15(19)4-6-16/h3-6,13-14H,7-12H2,1-2H3,(H,20,22)