N-(2-tert-butylphenyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(2-tert-butylphenyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-(2-tert-butylphenyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide CAS Name: N-(2-tert-butylphenyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(2-tert-butylphenyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-(2-tert-butylphenyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-isonipecotamide Formula: C23H27F3N2O3S MolecularWeight: 468.53229

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C23H27F3N2O3S/c1-22(2,3)19-9-4-5-10-20(19)27-21(29)16-11-13-28(14-12-16)32(30,31)18-8-6-7-17(15-18)23(24,25)26/h4-10,15-16H,11-14H2,1-3H3,(H,27,29)