6,7-dimethoxy-2-[[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 6,7-dimethoxy-2-[[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 6,7-dimethoxy-2-[[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 6,7-dimethoxy-2-[[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]methyl]-1H-quinazolin-4-one IUPAC Name: 6,7-dimethoxy-2-[[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 6,7-dimethoxy-2-[[4-(3-nitrophenyl)sulfonylpiperazino]methyl]-1H-quinazolin-4-one Formula: C21H23N5O7S MolecularWeight: 489.50162

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N=C(N2)CN3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N=C(N2)CN3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C21H23N5O7S/c1-32-18-11-16-17(12-19(18)33-2)22-20(23-21(16)27)13-24-6-8-25(9-7-24)34(30,31)15-5-3-4-14(10-15)26(28)29/h3-5,10-12H,6-9,13H2,1-2H3,(H,22,23,27)