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

Systemtic Name: N-[6-[2,3-bis(oxidanyl)propoxy]-5-(2-methoxyphenoxy)-2-methyl-pyrimidin-4-yl]-4-tert-butyl-benzenesulfonamide Openeye Name: 4-tert-butyl-N-[6-(2,3-dihydroxypropoxy)-5-(2-methoxyphenoxy)-2-methyl-pyrimidin-4-yl]benzenesulfonamide CAS Name: 4-tert-butyl-N-[6-(2,3-dihydroxypropoxy)-5-(2-methoxyphenoxy)-2-methyl-4-pyrimidinyl]benzenesulfonamide IUPAC Name: 4-tert-butyl-N-[6-(2,3-dihydroxypropoxy)-5-(2-methoxyphenoxy)-2-methylpyrimidin-4-yl]benzenesulfonamide Traditional Name: 4-tert-butyl-N-[6-glyceryloxy-5-(2-methoxyphenoxy)-2-methyl-pyrimidin-4-yl]benzenesulfonamide Formula: C25H31N3O7S MolecularWeight: 517.59454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=N1)OCC(CO)O)OC2=CC=CC=C2OC)NS(=O)(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=NC(=C(C(=N1)OCC(CO)O)OC2=CC=CC=C2OC)NS(=O)(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C25H31N3O7S/c1-16-26-23(28-36(31,32)19-12-10-17(11-13-19)25(2,3)4)22(24(27-16)34-15-18(30)14-29)35-21-9-7-6-8-20(21)33-5/h6-13,18,29-30H,14-15H2,1-5H3,(H,26,27,28)