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

Systemtic Name: 4-tert-butyl-N-[5-(2-chloranyl-5-methoxy-phenoxy)-6-(2-hydroxyethyloxy)-2-(1-oxidanidylpyridin-1-ium-4-yl)pyrimidin-4-yl]benzenesulfonamide Openeye Name: 4-tert-butyl-N-[5-(2-chloro-5-methoxy-phenoxy)-6-(2-hydroxyethoxy)-2-(1-oxidopyridin-1-ium-4-yl)pyrimidin-4-yl]benzenesulfonamide CAS Name: 4-tert-butyl-N-[5-(2-chloro-5-methoxyphenoxy)-6-(2-hydroxyethoxy)-2-(1-oxido-4-pyridin-1-iumyl)-4-pyrimidinyl]benzenesulfonamide IUPAC Name: 4-tert-butyl-N-[5-(2-chloro-5-methoxyphenoxy)-6-(2-hydroxyethoxy)-2-(1-oxidopyridin-1-ium-4-yl)pyrimidin-4-yl]benzenesulfonamide Traditional Name: 4-tert-butyl-N-[5-(2-chloro-5-methoxy-phenoxy)-6-(2-hydroxyethoxy)-2-(1-oxidopyridin-1-ium-4-yl)pyrimidin-4-yl]benzenesulfonamide Formula: C28H29ClN4O7S MolecularWeight: 601.07046

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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=C(C=CC(=C4)OC)Cl

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=C(C=CC(=C4)OC)Cl

InChI

InChI=1S/C28H29ClN4O7S/c1-28(2,3)19-5-8-21(9-6-19)41(36,37)32-26-24(40-23-17-20(38-4)7-10-22(23)29)27(39-16-15-34)31-25(30-26)18-11-13-33(35)14-12-18/h5-14,17,34H,15-16H2,1-4H3,(H,30,31,32)