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

Systemtic Name: N-[6-(2-hydroxyethyloxy)-5-(2-methoxyphenoxy)-2-(1-oxidanidylpyridin-1-ium-4-yl)pyrimidin-4-yl]-4-methylsulfanyl-benzenesulfonamide Openeye Name: N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-(1-oxidopyridin-1-ium-4-yl)pyrimidin-4-yl]-4-methylsulfanyl-benzenesulfonamide CAS Name: N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-(1-oxido-4-pyridin-1-iumyl)-4-pyrimidinyl]-4-(methylthio)benzenesulfonamide IUPAC Name: N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-(1-oxidopyridin-1-ium-4-yl)pyrimidin-4-yl]-4-methylsulfanylbenzenesulfonamide Traditional Name: N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-(1-oxidopyridin-1-ium-4-yl)pyrimidin-4-yl]-4-(methylthio)benzenesulfonamide Formula: C25H24N4O7S2 MolecularWeight: 556.61066

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OC2=C(N=C(N=C2OCCO)C3=CC=[N+](C=C3)[O-])NS(=O)(=O)C4=CC=C(C=C4)SC

Isomeric SMILES

COC1=CC=CC=C1OC2=C(N=C(N=C2OCCO)C3=CC=[N+](C=C3)[O-])NS(=O)(=O)C4=CC=C(C=C4)SC

InChI

InChI=1S/C25H24N4O7S2/c1-34-20-5-3-4-6-21(20)36-22-24(28-38(32,33)19-9-7-18(37-2)8-10-19)26-23(27-25(22)35-16-15-30)17-11-13-29(31)14-12-17/h3-14,30H,15-16H2,1-2H3,(H,26,27,28)