2-[2-[[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]-4-oxidanylidene-quinazolin-3-yl]ethanenitrile

Systemtic Name: 2-[2-[[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]-4-oxidanylidene-quinazolin-3-yl]ethanenitrile Openeye Name: 2-[2-[[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]-4-oxo-quinazolin-3-yl]acetonitrile CAS Name: 2-[2-[[4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazinyl]methyl]-4-oxo-3-quinazolinyl]acetonitrile IUPAC Name: 2-[2-[[4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-4-oxoquinazolin-3-yl]acetonitrile Traditional Name: 2-[4-keto-2-[[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazino]methyl]quinazolin-3-yl]acetonitrile Formula: C22H22N6O6S MolecularWeight: 498.51168

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4C(=O)N3CC#N)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4C(=O)N3CC#N)[N+](=O)[O-]

InChI

InChI=1S/C22H22N6O6S/c1-34-20-7-6-16(14-19(20)28(30)31)35(32,33)26-12-10-25(11-13-26)15-21-24-18-5-3-2-4-17(18)22(29)27(21)9-8-23/h2-7,14H,9-13,15H2,1H3