N-[6-[2,3-bis(oxidanyl)propoxy]-5-(2-methoxyphenoxy)-2-thiophen-3-yl-pyrimidin-4-yl]-4-tert-butyl-benzenesulfonamide

Systemtic Name: N-[6-[2,3-bis(oxidanyl)propoxy]-5-(2-methoxyphenoxy)-2-thiophen-3-yl-pyrimidin-4-yl]-4-tert-butyl-benzenesulfonamide Openeye Name: 4-tert-butyl-N-[6-(2,3-dihydroxypropoxy)-5-(2-methoxyphenoxy)-2-(3-thienyl)pyrimidin-4-yl]benzenesulfonamide CAS Name: 4-tert-butyl-N-[6-(2,3-dihydroxypropoxy)-5-(2-methoxyphenoxy)-2-(3-thiophenyl)-4-pyrimidinyl]benzenesulfonamide IUPAC Name: 4-tert-butyl-N-[6-(2,3-dihydroxypropoxy)-5-(2-methoxyphenoxy)-2-thiophen-3-ylpyrimidin-4-yl]benzenesulfonamide Traditional Name: 4-tert-butyl-N-[6-glyceryloxy-5-(2-methoxyphenoxy)-2-(3-thienyl)pyrimidin-4-yl]benzenesulfonamide Formula: C28H31N3O7S2 MolecularWeight: 585.69164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NC(=N2)C3=CSC=C3)OCC(CO)O)OC4=CC=CC=C4OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NC(=N2)C3=CSC=C3)OCC(CO)O)OC4=CC=CC=C4OC

InChI

InChI=1S/C28H31N3O7S2/c1-28(2,3)19-9-11-21(12-10-19)40(34,35)31-26-24(38-23-8-6-5-7-22(23)36-4)27(37-16-20(33)15-32)30-25(29-26)18-13-14-39-17-18/h5-14,17,20,32-33H,15-16H2,1-4H3,(H,29,30,31)