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

Systemtic Name: N'-(4-butylphenyl)-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]ethanediamide Openeye Name: N'-(4-butylphenyl)-N-[2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]ethyl]oxamide CAS Name: N'-(4-butylphenyl)-N-[2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]ethyl]oxamide IUPAC Name: N'-(4-butylphenyl)-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]oxamide Traditional Name: N'-(4-butylphenyl)-N-[2-(4-tosylpiperazin-1-ium-1-yl)ethyl]oxamide Formula: C25H35N4O4S+ MolecularWeight: 487.6348

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C25H34N4O4S/c1-3-4-5-21-8-10-22(11-9-21)27-25(31)24(30)26-14-15-28-16-18-29(19-17-28)34(32,33)23-12-6-20(2)7-13-23/h6-13H,3-5,14-19H2,1-2H3,(H,26,30)(H,27,31)/p+1