8-[[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]-8-azaspiro[4.4]nonane-7,9-dione

Systemtic Name: 8-[[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]-8-azaspiro[4.4]nonane-7,9-dione Openeye Name: 8-[[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]-8-azaspiro[4.4]nonane-7,9-dione CAS Name: 8-[[4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazinyl]methyl]-8-azaspiro[4.4]nonane-7,9-dione IUPAC Name: 8-[[4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-8-azaspiro[4.4]nonane-7,9-dione Traditional Name: 8-[[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazino]methyl]-8-azaspiro[4.4]nonane-7,9-quinone Formula: C20H26N4O7S MolecularWeight: 466.50804

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CN3C(=O)CC4(C3=O)CCCC4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CN3C(=O)CC4(C3=O)CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C20H26N4O7S/c1-31-17-5-4-15(12-16(17)24(27)28)32(29,30)22-10-8-21(9-11-22)14-23-18(25)13-20(19(23)26)6-2-3-7-20/h4-5,12H,2-3,6-11,13-14H2,1H3