5-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-8-nitro-isoquinoline

Systemtic Name: 5-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-8-nitro-isoquinoline Openeye Name: 5-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-8-nitro-isoquinoline CAS Name: 5-[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]-8-nitroisoquinoline IUPAC Name: 5-[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]-8-nitroisoquinoline Traditional Name: 5-[4-(4-mesyl-2-nitro-phenyl)piperazino]-8-nitro-isoquinoline Formula: C20H19N5O6S MolecularWeight: 457.45976

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O6S/c1-32(30,31)14-2-3-19(20(12-14)25(28)29)23-10-8-22(9-11-23)17-4-5-18(24(26)27)16-13-21-7-6-15(16)17/h2-7,12-13H,8-11H2,1H3