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

Systemtic Name: N-[5-(2-chloranyl-5-methoxy-phenoxy)-6-methoxy-2-methylsulfanyl-pyrimidin-4-yl]-1,3-benzodioxole-5-sulfonamide Openeye Name: N-[5-(2-chloro-5-methoxy-phenoxy)-6-methoxy-2-methylsulfanyl-pyrimidin-4-yl]-1,3-benzodioxole-5-sulfonamide CAS Name: N-[5-(2-chloro-5-methoxyphenoxy)-6-methoxy-2-(methylthio)-4-pyrimidinyl]-1,3-benzodioxole-5-sulfonamide IUPAC Name: N-[5-(2-chloro-5-methoxyphenoxy)-6-methoxy-2-methylsulfanylpyrimidin-4-yl]-1,3-benzodioxole-5-sulfonamide Traditional Name: N-[5-(2-chloro-5-methoxy-phenoxy)-6-methoxy-2-(methylthio)pyrimidin-4-yl]-1,3-benzodioxole-5-sulfonamide Formula: C20H18ClN3O7S2 MolecularWeight: 511.95582

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Cl)OC2=C(N=C(N=C2OC)SC)NS(=O)(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC(=C(C=C1)Cl)OC2=C(N=C(N=C2OC)SC)NS(=O)(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H18ClN3O7S2/c1-27-11-4-6-13(21)15(8-11)31-17-18(22-20(32-3)23-19(17)28-2)24-33(25,26)12-5-7-14-16(9-12)30-10-29-14/h4-9H,10H2,1-3H3,(H,22,23,24)