3-[2,3-bis(oxidanyl)propoxy]-4-tert-butyl-N-(3-fluoranyl-2-methoxy-phenoxy)-2-pyrimidin-4-yl-benzenesulfonamide

Systemtic Name: 3-[2,3-bis(oxidanyl)propoxy]-4-tert-butyl-N-(3-fluoranyl-2-methoxy-phenoxy)-2-pyrimidin-4-yl-benzenesulfonamide Openeye Name: 4-tert-butyl-3-(2,3-dihydroxypropoxy)-N-(3-fluoro-2-methoxy-phenoxy)-2-pyrimidin-4-yl-benzenesulfonamide CAS Name: 4-tert-butyl-3-(2,3-dihydroxypropoxy)-N-(3-fluoro-2-methoxyphenoxy)-2-(4-pyrimidinyl)benzenesulfonamide IUPAC Name: 4-tert-butyl-3-(2,3-dihydroxypropoxy)-N-(3-fluoro-2-methoxyphenoxy)-2-pyrimidin-4-ylbenzenesulfonamide Traditional Name: 4-tert-butyl-N-(3-fluoro-2-methoxy-phenoxy)-3-glyceryloxy-2-(4-pyrimidyl)benzenesulfonamide Formula: C24H28FN3O7S MolecularWeight: 521.558423

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=C(C=C1)S(=O)(=O)NOC2=C(C(=CC=C2)F)OC)C3=NC=NC=C3)OCC(CO)O

Isomeric SMILES

CC(C)(C)C1=C(C(=C(C=C1)S(=O)(=O)NOC2=C(C(=CC=C2)F)OC)C3=NC=NC=C3)OCC(CO)O

InChI

InChI=1S/C24H28FN3O7S/c1-24(2,3)16-8-9-20(36(31,32)28-35-19-7-5-6-17(25)23(19)33-4)21(18-10-11-26-14-27-18)22(16)34-13-15(30)12-29/h5-11,14-15,28-30H,12-13H2,1-4H3