6-[4-(5-bromanylpyridin-2-yl)piperazin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[4-(5-bromanylpyridin-2-yl)piperazin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one Openeye Name: 6-[4-(5-bromo-2-pyridyl)piperazin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one CAS Name: 6-[[4-(5-bromo-2-pyridinyl)-1-piperazinyl]sulfonyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[4-(5-bromopyridin-2-yl)piperazin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one Traditional Name: 6-[4-(5-bromo-2-pyridyl)piperazino]sulfonyl-4H-1,4-benzoxazin-3-one Formula: C17H17BrN4O4S MolecularWeight: 453.31028

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=C2)Br)S(=O)(=O)C3=CC4=C(C=C3)OCC(=O)N4

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=C2)Br)S(=O)(=O)C3=CC4=C(C=C3)OCC(=O)N4

InChI

InChI=1S/C17H17BrN4O4S/c18-12-1-4-16(19-10-12)21-5-7-22(8-6-21)27(24,25)13-2-3-15-14(9-13)20-17(23)11-26-15/h1-4,9-10H,5-8,11H2,(H,20,23)