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

Systemtic Name: N-[5-(2-chloranyl-5-methoxy-phenoxy)-4-oxidanylidene-1H-pyrimidin-6-yl]-1,3-benzodioxole-5-sulfonamide Openeye Name: N-[5-(2-chloro-5-methoxy-phenoxy)-4-oxo-1H-pyrimidin-6-yl]-1,3-benzodioxole-5-sulfonamide CAS Name: N-[5-(2-chloro-5-methoxyphenoxy)-4-oxo-1H-pyrimidin-6-yl]-1,3-benzodioxole-5-sulfonamide IUPAC Name: N-[5-(2-chloro-5-methoxyphenoxy)-4-oxo-1H-pyrimidin-6-yl]-1,3-benzodioxole-5-sulfonamide Traditional Name: N-[5-(2-chloro-5-methoxy-phenoxy)-4-keto-1H-pyrimidin-6-yl]-1,3-benzodioxole-5-sulfonamide Formula: C18H14ClN3O7S MolecularWeight: 451.83766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14ClN3O7S/c1-26-10-2-4-12(19)14(6-10)29-16-17(20-8-21-18(16)23)22-30(24,25)11-3-5-13-15(7-11)28-9-27-13/h2-8H,9H2,1H3,(H2,20,21,22,23)