N-[5-(2-chloranyl-5-methoxy-phenoxy)-2-(2-methylsulfinylethoxy)-4-oxidanylidene-1H-pyrimidin-6-yl]-1,3-benzodioxole-5-sulfonamide

Systemtic Name: N-[5-(2-chloranyl-5-methoxy-phenoxy)-2-(2-methylsulfinylethoxy)-4-oxidanylidene-1H-pyrimidin-6-yl]-1,3-benzodioxole-5-sulfonamide Openeye Name: N-[5-(2-chloro-5-methoxy-phenoxy)-2-(2-methylsulfinylethoxy)-4-oxo-1H-pyrimidin-6-yl]-1,3-benzodioxole-5-sulfonamide CAS Name: N-[5-(2-chloro-5-methoxyphenoxy)-2-(2-methylsulfinylethoxy)-4-oxo-1H-pyrimidin-6-yl]-1,3-benzodioxole-5-sulfonamide IUPAC Name: N-[5-(2-chloro-5-methoxyphenoxy)-2-(2-methylsulfinylethoxy)-4-oxo-1H-pyrimidin-6-yl]-1,3-benzodioxole-5-sulfonamide Traditional Name: N-[5-(2-chloro-5-methoxy-phenoxy)-4-keto-2-(2-methylsulfinylethoxy)-1H-pyrimidin-6-yl]-1,3-benzodioxole-5-sulfonamide Formula: C21H20ClN3O9S2 MolecularWeight: 557.9812

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Cl)OC2=C(NC(=NC2=O)OCCS(=O)C)NS(=O)(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC(=C(C=C1)Cl)OC2=C(NC(=NC2=O)OCCS(=O)C)NS(=O)(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H20ClN3O9S2/c1-30-12-3-5-14(22)16(9-12)34-18-19(23-21(24-20(18)26)31-7-8-35(2)27)25-36(28,29)13-4-6-15-17(10-13)33-11-32-15/h3-6,9-10H,7-8,11H2,1-2H3,(H2,23,24,25,26)