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

Systemtic Name: N-[5-(2-chloranyl-5-methoxy-phenoxy)-6-(2-methylsulfanylethoxy)pyrimidin-4-yl]-1,3-benzodioxole-5-sulfonamide Openeye Name: N-[5-(2-chloro-5-methoxy-phenoxy)-6-(2-methylsulfanylethoxy)pyrimidin-4-yl]-1,3-benzodioxole-5-sulfonamide CAS Name: N-[5-(2-chloro-5-methoxyphenoxy)-6-[2-(methylthio)ethoxy]-4-pyrimidinyl]-1,3-benzodioxole-5-sulfonamide IUPAC Name: N-[5-(2-chloro-5-methoxyphenoxy)-6-(2-methylsulfanylethoxy)pyrimidin-4-yl]-1,3-benzodioxole-5-sulfonamide Traditional Name: N-[5-(2-chloro-5-methoxy-phenoxy)-6-[2-(methylthio)ethoxy]pyrimidin-4-yl]-1,3-benzodioxole-5-sulfonamide Formula: C21H20ClN3O7S2 MolecularWeight: 525.9824

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Cl)OC2=C(N=CN=C2OCCSC)NS(=O)(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC(=C(C=C1)Cl)OC2=C(N=CN=C2OCCSC)NS(=O)(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H20ClN3O7S2/c1-28-13-3-5-15(22)17(9-13)32-19-20(23-11-24-21(19)29-7-8-33-2)25-34(26,27)14-4-6-16-18(10-14)31-12-30-16/h3-6,9-11H,7-8,12H2,1-2H3,(H,23,24,25)