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

Systemtic Name: N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]-N'-(phenylmethyl)ethanediamide Openeye Name: N'-benzyl-N-[2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]ethyl]oxamide CAS Name: N-[2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]ethyl]-N'-(phenylmethyl)oxamide IUPAC Name: N'-benzyl-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]oxamide Traditional Name: N'-benzyl-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)S(=O)(=O)N2CC[NH+](CC2)CCNC(=O)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCNC(=O)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C22H28N4O4S/c1-18-7-9-20(10-8-18)31(29,30)26-15-13-25(14-16-26)12-11-23-21(27)22(28)24-17-19-5-3-2-4-6-19/h2-10H,11-17H2,1H3,(H,23,27)(H,24,28)/p+1