(3,3-dimethyl-2-oxidanylidene-butyl) 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate CAS Name: 1-(4-fluorophenyl)sulfonyl-3-piperidinecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate Traditional Name: 1-(4-fluorophenyl)sulfonylnipecotic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C18H24FNO5S MolecularWeight: 385.450263

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C18H24FNO5S/c1-18(2,3)16(21)12-25-17(22)13-5-4-10-20(11-13)26(23,24)15-8-6-14(19)7-9-15/h6-9,13H,4-5,10-12H2,1-3H3