N-(2-methylbutan-2-yl)-1-[2-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(2-methylbutan-2-yl)-1-[2-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-(1,1-dimethylpropyl)-1-[2-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide CAS Name: N-(2-methylbutan-2-yl)-1-[2-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(2-methylbutan-2-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-tert-amyl-1-[2-(trifluoromethyl)phenyl]sulfonyl-isonipecotamide Formula: C18H25F3N2O3S MolecularWeight: 406.46291

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C(F)(F)F

Isomeric SMILES

CCC(C)(C)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C18H25F3N2O3S/c1-4-17(2,3)22-16(24)13-9-11-23(12-10-13)27(25,26)15-8-6-5-7-14(15)18(19,20)21/h5-8,13H,4,9-12H2,1-3H3,(H,22,24)