N-[2-(2-cyanopyridin-4-yl)-6-(2-hydroxyethyloxy)-5-(2-methoxyphenoxy)pyrimidin-4-yl]-1,3-benzodioxole-5-sulfonamide

Systemtic Name: N-[2-(2-cyanopyridin-4-yl)-6-(2-hydroxyethyloxy)-5-(2-methoxyphenoxy)pyrimidin-4-yl]-1,3-benzodioxole-5-sulfonamide Openeye Name: N-[2-(2-cyano-4-pyridyl)-6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)pyrimidin-4-yl]-1,3-benzodioxole-5-sulfonamide CAS Name: N-[2-(2-cyano-4-pyridinyl)-6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-4-pyrimidinyl]-1,3-benzodioxole-5-sulfonamide IUPAC Name: N-[2-(2-cyanopyridin-4-yl)-6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)pyrimidin-4-yl]-1,3-benzodioxole-5-sulfonamide Traditional Name: N-[2-(2-cyano-4-pyridyl)-6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)pyrimidin-4-yl]-1,3-benzodioxole-5-sulfonamide Formula: C26H21N5O8S MolecularWeight: 563.53864

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OC2=C(N=C(N=C2OCCO)C3=CC(=NC=C3)C#N)NS(=O)(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC=CC=C1OC2=C(N=C(N=C2OCCO)C3=CC(=NC=C3)C#N)NS(=O)(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H21N5O8S/c1-35-19-4-2-3-5-21(19)39-23-25(31-40(33,34)18-6-7-20-22(13-18)38-15-37-20)29-24(30-26(23)36-11-10-32)16-8-9-28-17(12-16)14-27/h2-9,12-13,32H,10-11,15H2,1H3,(H,29,30,31)