1-[4-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]sulfonylphenyl]ethanone

Systemtic Name: 1-[4-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]sulfonylphenyl]ethanone Openeye Name: 1-[4-[4-(8-nitro-5-isoquinolyl)piperazin-1-yl]sulfonylphenyl]ethanone CAS Name: 1-[4-[[4-(8-nitro-5-isoquinolinyl)-1-piperazinyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[4-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]sulfonylphenyl]ethanone Traditional Name: 1-[4-[4-(8-nitro-5-isoquinolyl)piperazino]sulfonylphenyl]ethanone Formula: C21H20N4O5S MolecularWeight: 440.4723

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O5S/c1-15(26)16-2-4-17(5-3-16)31(29,30)24-12-10-23(11-13-24)20-6-7-21(25(27)28)19-14-22-9-8-18(19)20/h2-9,14H,10-13H2,1H3