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

Systemtic Name: 6,7-dimethoxy-2-[[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 6,7-dimethoxy-2-[[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 6,7-dimethoxy-2-[[4-(2-nitrophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 6,7-dimethoxy-2-[[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 6,7-dimethoxy-2-[[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Formula: C21H24N5O7S+ MolecularWeight: 490.50956

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N=C(N2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N=C(N2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-])OC

InChI

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