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

Systemtic Name: 3-[4-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-4-oxidanylidene-butyl]quinazolin-4-one Openeye Name: 3-[4-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-4-oxo-butyl]quinazolin-4-one CAS Name: 3-[4-[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]-4-oxobutyl]-4-quinazolinone IUPAC Name: 3-[4-[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]-4-oxobutyl]quinazolin-4-one Traditional Name: 3-[4-keto-4-[4-(4-mesyl-2-nitro-phenyl)piperazino]butyl]quinazolin-4-one Formula: C23H25N5O6S MolecularWeight: 499.5395

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)CCCN3C=NC4=CC=CC=C4C3=O)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)CCCN3C=NC4=CC=CC=C4C3=O)[N+](=O)[O-]

InChI

InChI=1S/C23H25N5O6S/c1-35(33,34)17-8-9-20(21(15-17)28(31)32)25-11-13-26(14-12-25)22(29)7-4-10-27-16-24-19-6-3-2-5-18(19)23(27)30/h2-3,5-6,8-9,15-16H,4,7,10-14H2,1H3