4-tert-butyl-N-[6-(2-hydroxyethyloxy)-5-(2-methoxyphenoxy)-2-(1-oxidanidylpyridin-1-ium-4-yl)pyrimidin-4-yl]benzenesulfonamide

Systemtic Name: 4-tert-butyl-N-[6-(2-hydroxyethyloxy)-5-(2-methoxyphenoxy)-2-(1-oxidanidylpyridin-1-ium-4-yl)pyrimidin-4-yl]benzenesulfonamide Openeye Name: 4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-(1-oxidopyridin-1-ium-4-yl)pyrimidin-4-yl]benzenesulfonamide CAS Name: 4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-(1-oxido-4-pyridin-1-iumyl)-4-pyrimidinyl]benzenesulfonamide IUPAC Name: 4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-(1-oxidopyridin-1-ium-4-yl)pyrimidin-4-yl]benzenesulfonamide Traditional Name: 4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-(1-oxidopyridin-1-ium-4-yl)pyrimidin-4-yl]benzenesulfonamide Formula: C28H30N4O7S MolecularWeight: 566.6254

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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=CC=[N+](C=C3)[O-])OCCO)OC4=CC=CC=C4OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NC(=N2)C3=CC=[N+](C=C3)[O-])OCCO)OC4=CC=CC=C4OC

InChI

InChI=1S/C28H30N4O7S/c1-28(2,3)20-9-11-21(12-10-20)40(35,36)31-26-24(39-23-8-6-5-7-22(23)37-4)27(38-18-17-33)30-25(29-26)19-13-15-32(34)16-14-19/h5-16,33H,17-18H2,1-4H3,(H,29,30,31)