1-methyl-4-[4-[2-(1-oxidanylidenephthalazin-2-yl)ethanoyl]piperazin-1-yl]sulfonyl-pyrrole-2-carboxamide

Systemtic Name: 1-methyl-4-[4-[2-(1-oxidanylidenephthalazin-2-yl)ethanoyl]piperazin-1-yl]sulfonyl-pyrrole-2-carboxamide Openeye Name: 1-methyl-4-[4-[2-(1-oxophthalazin-2-yl)acetyl]piperazin-1-yl]sulfonyl-pyrrole-2-carboxamide CAS Name: 1-methyl-4-[[4-[1-oxo-2-(1-oxo-2-phthalazinyl)ethyl]-1-piperazinyl]sulfonyl]-2-pyrrolecarboxamide IUPAC Name: 1-methyl-4-[4-[2-(1-oxophthalazin-2-yl)acetyl]piperazin-1-yl]sulfonylpyrrole-2-carboxamide Traditional Name: 4-[4-[2-(1-ketophthalazin-2-yl)acetyl]piperazino]sulfonyl-1-methyl-pyrrole-2-carboxamide Formula: C20H22N6O5S MolecularWeight: 458.49088

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCN(CC2)C(=O)CN3C(=O)C4=CC=CC=C4C=N3

Isomeric SMILES

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCN(CC2)C(=O)CN3C(=O)C4=CC=CC=C4C=N3

InChI

InChI=1S/C20H22N6O5S/c1-23-12-15(10-17(23)19(21)28)32(30,31)25-8-6-24(7-9-25)18(27)13-26-20(29)16-5-3-2-4-14(16)11-22-26/h2-5,10-12H,6-9,13H2,1H3,(H2,21,28)