2-[2-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-[2-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[2-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione CAS Name: 2-[2-[4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazinyl]ethyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[2-[4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[2-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazino]ethyl]benzo[de]isoquinoline-1,3-quinone Formula: C25H24N4O7S MolecularWeight: 524.54566

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)[N+](=O)[O-]

InChI

InChI=1S/C25H24N4O7S/c1-36-22-9-8-18(16-21(22)29(32)33)37(34,35)27-13-10-26(11-14-27)12-15-28-24(30)19-6-2-4-17-5-3-7-20(23(17)19)25(28)31/h2-9,16H,10-15H2,1H3