N-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]-4-fluoranyl-N-pyridin-3-yl-benzenesulfonamide

Systemtic Name: N-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]-4-fluoranyl-N-pyridin-3-yl-benzenesulfonamide Openeye Name: N-[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]-4-fluoro-N-(3-pyridyl)benzenesulfonamide CAS Name: N-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-fluoro-N-(3-pyridinyl)benzenesulfonamide IUPAC Name: N-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-fluoro-N-pyridin-3-ylbenzenesulfonamide Traditional Name: N-(3,5-ditert-butyl-4-hydroxy-benzyl)-4-fluoro-N-(3-pyridyl)benzenesulfonamide Formula: C26H31FN2O3S MolecularWeight: 470.599343

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CN(C2=CN=CC=C2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CN(C2=CN=CC=C2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C26H31FN2O3S/c1-25(2,3)22-14-18(15-23(24(22)30)26(4,5)6)17-29(20-8-7-13-28-16-20)33(31,32)21-11-9-19(27)10-12-21/h7-16,30H,17H2,1-6H3