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

Systemtic Name: 4-tert-butyl-N-[5-(2-methoxyphenoxy)-2-(1-oxidanidylpyridin-1-ium-4-yl)-6-(2-phenylmethoxyethoxy)pyrimidin-4-yl]benzenesulfonamide Openeye Name: N-[6-(2-benzyloxyethoxy)-5-(2-methoxyphenoxy)-2-(1-oxidopyridin-1-ium-4-yl)pyrimidin-4-yl]-4-tert-butyl-benzenesulfonamide CAS Name: 4-tert-butyl-N-[5-(2-methoxyphenoxy)-2-(1-oxido-4-pyridin-1-iumyl)-6-(2-phenylmethoxyethoxy)-4-pyrimidinyl]benzenesulfonamide IUPAC Name: 4-tert-butyl-N-[5-(2-methoxyphenoxy)-2-(1-oxidopyridin-1-ium-4-yl)-6-(2-phenylmethoxyethoxy)pyrimidin-4-yl]benzenesulfonamide Traditional Name: N-[6-(2-benzoxyethoxy)-5-(2-methoxyphenoxy)-2-(1-oxidopyridin-1-ium-4-yl)pyrimidin-4-yl]-4-tert-butyl-benzenesulfonamide Formula: C35H36N4O7S MolecularWeight: 656.74794

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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-])OCCOCC4=CC=CC=C4)OC5=CC=CC=C5OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NC(=N2)C3=CC=[N+](C=C3)[O-])OCCOCC4=CC=CC=C4)OC5=CC=CC=C5OC

InChI

InChI=1S/C35H36N4O7S/c1-35(2,3)27-14-16-28(17-15-27)47(41,42)38-33-31(46-30-13-9-8-12-29(30)43-4)34(37-32(36-33)26-18-20-39(40)21-19-26)45-23-22-44-24-25-10-6-5-7-11-25/h5-21H,22-24H2,1-4H3,(H,36,37,38)