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

Systemtic Name: N-[5-(2-chloranyl-5-methoxy-phenoxy)-2-(3-methoxypropyl)-4-oxidanylidene-1H-pyrimidin-6-yl]-1,3-benzodioxole-5-sulfonamide Openeye Name: N-[5-(2-chloro-5-methoxy-phenoxy)-2-(3-methoxypropyl)-4-oxo-1H-pyrimidin-6-yl]-1,3-benzodioxole-5-sulfonamide CAS Name: N-[5-(2-chloro-5-methoxyphenoxy)-2-(3-methoxypropyl)-4-oxo-1H-pyrimidin-6-yl]-1,3-benzodioxole-5-sulfonamide IUPAC Name: N-[5-(2-chloro-5-methoxyphenoxy)-2-(3-methoxypropyl)-4-oxo-1H-pyrimidin-6-yl]-1,3-benzodioxole-5-sulfonamide Traditional Name: N-[5-(2-chloro-5-methoxy-phenoxy)-4-keto-2-(3-methoxypropyl)-1H-pyrimidin-6-yl]-1,3-benzodioxole-5-sulfonamide Formula: C22H22ClN3O8S MolecularWeight: 523.94338

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Descriptors Computed from Structure

Canonical SMILES:

COCCCC1=NC(=O)C(=C(N1)NS(=O)(=O)C2=CC3=C(C=C2)OCO3)OC4=C(C=CC(=C4)OC)Cl

Isomeric SMILES

COCCCC1=NC(=O)C(=C(N1)NS(=O)(=O)C2=CC3=C(C=C2)OCO3)OC4=C(C=CC(=C4)OC)Cl

InChI

InChI=1S/C22H22ClN3O8S/c1-30-9-3-4-19-24-21(26-35(28,29)14-6-8-16-18(11-14)33-12-32-16)20(22(27)25-19)34-17-10-13(31-2)5-7-15(17)23/h5-8,10-11H,3-4,9,12H2,1-2H3,(H2,24,25,26,27)