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

Systemtic Name: N'-(4-ethoxyphenyl)-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]ethanediamide Openeye Name: N'-(4-ethoxyphenyl)-N-[2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]ethyl]oxamide CAS Name: N'-(4-ethoxyphenyl)-N-[2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]ethyl]oxamide IUPAC Name: N'-(4-ethoxyphenyl)-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]oxamide Traditional Name: N'-p-phenetyl-N-[2-(4-tosylpiperazin-1-ium-1-yl)ethyl]oxamide Formula: C23H31N4O5S+ MolecularWeight: 475.58104

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C(=O)NCC[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C(=O)NCC[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C23H30N4O5S/c1-3-32-20-8-6-19(7-9-20)25-23(29)22(28)24-12-13-26-14-16-27(17-15-26)33(30,31)21-10-4-18(2)5-11-21/h4-11H,3,12-17H2,1-2H3,(H,24,28)(H,25,29)/p+1