6-fluoranyl-3-[2-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]quinazolin-4-one

Systemtic Name: 6-fluoranyl-3-[2-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]quinazolin-4-one Openeye Name: 6-fluoro-3-[2-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-2-oxo-ethyl]quinazolin-4-one CAS Name: 6-fluoro-3-[2-[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]-2-oxoethyl]-4-quinazolinone IUPAC Name: 6-fluoro-3-[2-[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one Traditional Name: 6-fluoro-3-[2-keto-2-[4-(4-mesyl-2-nitro-phenyl)piperazino]ethyl]quinazolin-4-one Formula: C21H20FN5O6S MolecularWeight: 489.476803

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)CN3C=NC4=C(C3=O)C=C(C=C4)F)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)CN3C=NC4=C(C3=O)C=C(C=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C21H20FN5O6S/c1-34(32,33)15-3-5-18(19(11-15)27(30)31)24-6-8-25(9-7-24)20(28)12-26-13-23-17-4-2-14(22)10-16(17)21(26)29/h2-5,10-11,13H,6-9,12H2,1H3