N-[4-[4-[3-(4-methylpiperazin-4-ium-1-yl)-4-nitro-phenyl]piperazin-1-yl]sulfonylphenyl]ethanamide

Systemtic Name: N-[4-[4-[3-(4-methylpiperazin-4-ium-1-yl)-4-nitro-phenyl]piperazin-1-yl]sulfonylphenyl]ethanamide Openeye Name: N-[4-[4-[3-(4-methylpiperazin-4-ium-1-yl)-4-nitro-phenyl]piperazin-1-yl]sulfonylphenyl]acetamide CAS Name: N-[4-[[4-[3-(4-methyl-1-piperazin-4-iumyl)-4-nitrophenyl]-1-piperazinyl]sulfonyl]phenyl]acetamide IUPAC Name: N-[4-[4-[3-(4-methylpiperazin-4-ium-1-yl)-4-nitrophenyl]piperazin-1-yl]sulfonylphenyl]acetamide Traditional Name: N-[4-[4-[3-(4-methylpiperazin-4-ium-1-yl)-4-nitro-phenyl]piperazino]sulfonylphenyl]acetamide Formula: C23H31N6O5S+ MolecularWeight: 503.59444

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CC[NH+](CC4)C

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CC[NH+](CC4)C

InChI

InChI=1S/C23H30N6O5S/c1-18(30)24-19-3-6-21(7-4-19)35(33,34)28-15-13-26(14-16-28)20-5-8-22(29(31)32)23(17-20)27-11-9-25(2)10-12-27/h3-8,17H,9-16H2,1-2H3,(H,24,30)/p+1