1-[2,5-bis(fluoranyl)phenyl]sulfonyl-N-(5-tert-butyl-2-oxidanyl-phenyl)piperidine-4-carboxamide

Systemtic Name: 1-[2,5-bis(fluoranyl)phenyl]sulfonyl-N-(5-tert-butyl-2-oxidanyl-phenyl)piperidine-4-carboxamide Openeye Name: N-(5-tert-butyl-2-hydroxy-phenyl)-1-(2,5-difluorophenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(5-tert-butyl-2-hydroxyphenyl)-1-(2,5-difluorophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(5-tert-butyl-2-hydroxyphenyl)-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(5-tert-butyl-2-hydroxy-phenyl)-1-(2,5-difluorophenyl)sulfonyl-isonipecotamide Formula: C22H26F2N2O4S MolecularWeight: 452.514646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26F2N2O4S/c1-22(2,3)15-4-7-19(27)18(12-15)25-21(28)14-8-10-26(11-9-14)31(29,30)20-13-16(23)5-6-17(20)24/h4-7,12-14,27H,8-11H2,1-3H3,(H,25,28)