[4-(dimethylamino)-3-nitro-phenyl]-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]methanone

Systemtic Name: [4-(dimethylamino)-3-nitro-phenyl]-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]methanone Openeye Name: [4-(dimethylamino)-3-nitro-phenyl]-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]methanone CAS Name: [4-(dimethylamino)-3-nitrophenyl]-[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: [4-(dimethylamino)-3-nitrophenyl]-[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]methanone Traditional Name: [4-(dimethylamino)-3-nitro-phenyl]-[4-(4-mesyl-2-nitro-phenyl)piperazino]methanone Formula: C20H23N5O7S MolecularWeight: 477.49092

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H23N5O7S/c1-21(2)16-6-4-14(12-18(16)24(27)28)20(26)23-10-8-22(9-11-23)17-7-5-15(33(3,31)32)13-19(17)25(29)30/h4-7,12-13H,8-11H2,1-3H3