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

Systemtic Name: N-[6-(2-hydroxyethyloxy)-5-(2-methoxyphenoxy)-2-(1-oxidanidylpyridin-1-ium-4-yl)pyrimidin-4-yl]-1,3-benzodioxole-5-sulfonamide Openeye Name: N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-(1-oxidopyridin-1-ium-4-yl)pyrimidin-4-yl]-1,3-benzodioxole-5-sulfonamide CAS Name: N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-(1-oxido-4-pyridin-1-iumyl)-4-pyrimidinyl]-1,3-benzodioxole-5-sulfonamide IUPAC Name: N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-(1-oxidopyridin-1-ium-4-yl)pyrimidin-4-yl]-1,3-benzodioxole-5-sulfonamide Traditional Name: N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-(1-oxidopyridin-1-ium-4-yl)pyrimidin-4-yl]-1,3-benzodioxole-5-sulfonamide Formula: C25H22N4O9S MolecularWeight: 554.52858

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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=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC=CC=C1OC2=C(N=C(N=C2OCCO)C3=CC=[N+](C=C3)[O-])NS(=O)(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H22N4O9S/c1-34-18-4-2-3-5-20(18)38-22-24(28-39(32,33)17-6-7-19-21(14-17)37-15-36-19)26-23(27-25(22)35-13-12-30)16-8-10-29(31)11-9-16/h2-11,14,30H,12-13,15H2,1H3,(H,26,27,28)