N'-(4-methoxyphenyl)-N-[2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethyl]ethanediamide

Systemtic Name: N'-(4-methoxyphenyl)-N-[2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethyl]ethanediamide Openeye Name: N-[2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]ethyl]-N'-(4-methoxyphenyl)oxamide CAS Name: N-[2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]ethyl]-N'-(4-methoxyphenyl)oxamide IUPAC Name: N-[2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]ethyl]-N'-(4-methoxyphenyl)oxamide Traditional Name: N-[2-(4-besylpiperazin-1-ium-1-yl)ethyl]-N'-(4-methoxyphenyl)oxamide Formula: C21H27N4O5S+ MolecularWeight: 447.52788

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C(=O)NCC[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C(=O)NCC[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H26N4O5S/c1-30-18-9-7-17(8-10-18)23-21(27)20(26)22-11-12-24-13-15-25(16-14-24)31(28,29)19-5-3-2-4-6-19/h2-10H,11-16H2,1H3,(H,22,26)(H,23,27)/p+1