N'-(4-methylphenyl)-N-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)ethyl]ethanediamide

Systemtic Name: N'-(4-methylphenyl)-N-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)ethyl]ethanediamide Openeye Name: N-[2-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]ethyl]-N'-(p-tolyl)oxamide CAS Name: N'-(4-methylphenyl)-N-[2-[4-(2-naphthalenylsulfonyl)-1-piperazin-1-iumyl]ethyl]oxamide IUPAC Name: N'-(4-methylphenyl)-N-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)ethyl]oxamide Traditional Name: N-[2-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]ethyl]-N'-(p-tolyl)oxamide Formula: C25H29N4O4S+ MolecularWeight: 481.58716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(=O)NCC[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C(=O)NCC[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C25H28N4O4S/c1-19-6-9-22(10-7-19)27-25(31)24(30)26-12-13-28-14-16-29(17-15-28)34(32,33)23-11-8-20-4-2-3-5-21(20)18-23/h2-11,18H,12-17H2,1H3,(H,26,30)(H,27,31)/p+1