N'-(4-ethoxyphenyl)-N-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)ethyl]ethanediamide

Systemtic Name: N'-(4-ethoxyphenyl)-N-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)ethyl]ethanediamide Openeye Name: N'-(4-ethoxyphenyl)-N-[2-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]ethyl]oxamide CAS Name: N'-(4-ethoxyphenyl)-N-[2-[4-(2-naphthalenylsulfonyl)-1-piperazin-1-iumyl]ethyl]oxamide IUPAC Name: N'-(4-ethoxyphenyl)-N-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)ethyl]oxamide Traditional Name: N-[2-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]ethyl]-N'-p-phenetyl-oxamide Formula: C26H31N4O5S+ MolecularWeight: 511.61314

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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=CC4=CC=CC=C4C=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C(=O)NCC[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C26H30N4O5S/c1-2-35-23-10-8-22(9-11-23)28-26(32)25(31)27-13-14-29-15-17-30(18-16-29)36(33,34)24-12-7-20-5-3-4-6-21(20)19-24/h3-12,19H,2,13-18H2,1H3,(H,27,31)(H,28,32)/p+1