N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]-2-(2-oxidanylidenepyrimidin-1-yl)ethanamide

Systemtic Name: N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]-2-(2-oxidanylidenepyrimidin-1-yl)ethanamide Openeye Name: N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]-2-(2-oxopyrimidin-1-yl)acetamide CAS Name: N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]-2-(2-oxo-1-pyrimidinyl)acetamide IUPAC Name: N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]-2-(2-oxopyrimidin-1-yl)acetamide Traditional Name: N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]-2-(2-ketopyrimidin-1-yl)acetamide Formula: C21H20N4O6S MolecularWeight: 456.4717

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)NC(=O)CN4C=CC=NC4=O)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)NC(=O)CN4C=CC=NC4=O)OC1

InChI

InChI=1S/C21H20N4O6S/c26-20(14-25-10-1-9-22-21(25)27)23-15-3-5-16(6-4-15)24-32(28,29)17-7-8-18-19(13-17)31-12-2-11-30-18/h1,3-10,13,24H,2,11-12,14H2,(H,23,26)