N-[6-(2-hydroxyethyloxy)-5-(2-methoxyphenoxy)-2-(1-oxidanidylpyridin-1-ium-4-yl)pyrimidin-4-yl]-3,4-dimethoxy-benzenesulfonamide

Systemtic Name: N-[6-(2-hydroxyethyloxy)-5-(2-methoxyphenoxy)-2-(1-oxidanidylpyridin-1-ium-4-yl)pyrimidin-4-yl]-3,4-dimethoxy-benzenesulfonamide Openeye Name: N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-(1-oxidopyridin-1-ium-4-yl)pyrimidin-4-yl]-3,4-dimethoxy-benzenesulfonamide CAS Name: N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-(1-oxido-4-pyridin-1-iumyl)-4-pyrimidinyl]-3,4-dimethoxybenzenesulfonamide IUPAC Name: N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-(1-oxidopyridin-1-ium-4-yl)pyrimidin-4-yl]-3,4-dimethoxybenzenesulfonamide Traditional Name: N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-(1-oxidopyridin-1-ium-4-yl)pyrimidin-4-yl]-3,4-dimethoxy-benzenesulfonamide Formula: C26H26N4O9S MolecularWeight: 570.57104

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NC2=C(C(=NC(=N2)C3=CC=[N+](C=C3)[O-])OCCO)OC4=CC=CC=C4OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NC2=C(C(=NC(=N2)C3=CC=[N+](C=C3)[O-])OCCO)OC4=CC=CC=C4OC)OC

InChI

InChI=1S/C26H26N4O9S/c1-35-19-6-4-5-7-21(19)39-23-25(29-40(33,34)18-8-9-20(36-2)22(16-18)37-3)27-24(28-26(23)38-15-14-31)17-10-12-30(32)13-11-17/h4-13,16,31H,14-15H2,1-3H3,(H,27,28,29)