(3,3-dimethyl-2-oxidanylidene-butyl) 1-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 1-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylisonipecotic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C19H23ClF3NO5S MolecularWeight: 469.90283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23ClF3NO5S/c1-18(2,3)16(25)11-29-17(26)12-6-8-24(9-7-12)30(27,28)13-4-5-15(20)14(10-13)19(21,22)23/h4-5,10,12H,6-9,11H2,1-3H3