N-[6-chloranyl-5-(3,5-dimethoxyphenoxy)pyrimidin-4-yl]-1,3-benzodioxole-5-sulfonamide

Systemtic Name: N-[6-chloranyl-5-(3,5-dimethoxyphenoxy)pyrimidin-4-yl]-1,3-benzodioxole-5-sulfonamide Openeye Name: N-[6-chloro-5-(3,5-dimethoxyphenoxy)pyrimidin-4-yl]-1,3-benzodioxole-5-sulfonamide CAS Name: N-[6-chloro-5-(3,5-dimethoxyphenoxy)-4-pyrimidinyl]-1,3-benzodioxole-5-sulfonamide IUPAC Name: N-[6-chloro-5-(3,5-dimethoxyphenoxy)pyrimidin-4-yl]-1,3-benzodioxole-5-sulfonamide Traditional Name: N-[6-chloro-5-(3,5-dimethoxyphenoxy)pyrimidin-4-yl]-1,3-benzodioxole-5-sulfonamide Formula: C19H16ClN3O7S MolecularWeight: 465.86424

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)OC2=C(N=CN=C2Cl)NS(=O)(=O)C3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

COC1=CC(=CC(=C1)OC2=C(N=CN=C2Cl)NS(=O)(=O)C3=CC4=C(C=C3)OCO4)OC

InChI

InChI=1S/C19H16ClN3O7S/c1-26-11-5-12(27-2)7-13(6-11)30-17-18(20)21-9-22-19(17)23-31(24,25)14-3-4-15-16(8-14)29-10-28-15/h3-9H,10H2,1-2H3,(H,21,22,23)