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

Systemtic Name: N-[5-(2-chloranyl-5-methoxy-phenoxy)-6-(2-hydroxyethyloxy)-2-methylsulfanyl-pyrimidin-4-yl]-1,3-benzodioxole-5-sulfonamide Openeye Name: N-[5-(2-chloro-5-methoxy-phenoxy)-6-(2-hydroxyethoxy)-2-methylsulfanyl-pyrimidin-4-yl]-1,3-benzodioxole-5-sulfonamide CAS Name: N-[5-(2-chloro-5-methoxyphenoxy)-6-(2-hydroxyethoxy)-2-(methylthio)-4-pyrimidinyl]-1,3-benzodioxole-5-sulfonamide IUPAC Name: N-[5-(2-chloro-5-methoxyphenoxy)-6-(2-hydroxyethoxy)-2-methylsulfanylpyrimidin-4-yl]-1,3-benzodioxole-5-sulfonamide Traditional Name: N-[5-(2-chloro-5-methoxy-phenoxy)-6-(2-hydroxyethoxy)-2-(methylthio)pyrimidin-4-yl]-1,3-benzodioxole-5-sulfonamide Formula: C21H20ClN3O8S2 MolecularWeight: 541.9818

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Cl)OC2=C(N=C(N=C2OCCO)SC)NS(=O)(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC(=C(C=C1)Cl)OC2=C(N=C(N=C2OCCO)SC)NS(=O)(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H20ClN3O8S2/c1-29-12-3-5-14(22)16(9-12)33-18-19(23-21(34-2)24-20(18)30-8-7-26)25-35(27,28)13-4-6-15-17(10-13)32-11-31-15/h3-6,9-10,26H,7-8,11H2,1-2H3,(H,23,24,25)