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

Systemtic Name: [1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-(isobutylamino)-1-methyl-2-oxo-ethyl] 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-fluorophenyl)sulfonyl-4-piperidinecarboxylic acid [1-(2-methylpropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-methylpropylamino)-1-oxopropan-2-yl] 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-fluorophenyl)sulfonylisonipecotic acid [2-(isobutylamino)-2-keto-1-methyl-ethyl] ester Formula: C19H27FN2O5S MolecularWeight: 414.491483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27FN2O5S/c1-13(2)12-21-18(23)14(3)27-19(24)15-8-10-22(11-9-15)28(25,26)17-6-4-16(20)5-7-17/h4-7,13-15H,8-12H2,1-3H3,(H,21,23)