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

Systemtic Name: N'-(4-methylphenyl)-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]ethanediamide Openeye Name: N'-(p-tolyl)-N-[2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]ethyl]oxamide CAS Name: N'-(4-methylphenyl)-N-[2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]ethyl]oxamide IUPAC Name: N'-(4-methylphenyl)-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]oxamide Traditional Name: N'-(p-tolyl)-N-[2-(4-tosylpiperazin-1-ium-1-yl)ethyl]oxamide Formula: C22H29N4O4S+ MolecularWeight: 445.55506

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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=CC=C(C=C3)C

Isomeric SMILES

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

InChI

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