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

Systemtic Name: N'-(4-ethylphenyl)-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-ethylphenyl)oxamide CAS Name: N-[2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]ethyl]-N'-(4-ethylphenyl)oxamide IUPAC Name: N-[2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]ethyl]-N'-(4-ethylphenyl)oxamide Traditional Name: N-[2-(4-besylpiperazin-1-ium-1-yl)ethyl]-N'-(4-ethylphenyl)oxamide Formula: C22H29N4O4S+ MolecularWeight: 445.55506

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(=O)NCC[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C(=O)NCC[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H28N4O4S/c1-2-18-8-10-19(11-9-18)24-22(28)21(27)23-12-13-25-14-16-26(17-15-25)31(29,30)20-6-4-3-5-7-20/h3-11H,2,12-17H2,1H3,(H,23,27)(H,24,28)/p+1