N'-(4-butylphenyl)-N-[2-[4-(4-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]ethanediamide

Systemtic Name: N'-(4-butylphenyl)-N-[2-[4-(4-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]ethanediamide Openeye Name: N'-(4-butylphenyl)-N-[2-[4-(4-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]oxamide CAS Name: N'-(4-butylphenyl)-N-[2-[4-(4-nitrophenyl)sulfonyl-1-piperazin-1-iumyl]ethyl]oxamide IUPAC Name: N'-(4-butylphenyl)-N-[2-[4-(4-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]oxamide Traditional Name: N'-(4-butylphenyl)-N-[2-(4-nosylpiperazin-1-ium-1-yl)ethyl]oxamide Formula: C24H32N5O6S+ MolecularWeight: 518.60578

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)C(=O)NCC[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)C(=O)NCC[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C24H31N5O6S/c1-2-3-4-19-5-7-20(8-6-19)26-24(31)23(30)25-13-14-27-15-17-28(18-16-27)36(34,35)22-11-9-21(10-12-22)29(32)33/h5-12H,2-4,13-18H2,1H3,(H,25,30)(H,26,31)/p+1