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

Systemtic Name: N'-(4-ethylphenyl)-N-[2-(4-methylsulfonylpiperazin-1-ium-1-yl)ethyl]ethanediamide Openeye Name: N'-(4-ethylphenyl)-N-[2-(4-methylsulfonylpiperazin-1-ium-1-yl)ethyl]oxamide CAS Name: N'-(4-ethylphenyl)-N-[2-(4-methylsulfonyl-1-piperazin-1-iumyl)ethyl]oxamide IUPAC Name: N'-(4-ethylphenyl)-N-[2-(4-methylsulfonylpiperazin-1-ium-1-yl)ethyl]oxamide Traditional Name: N'-(4-ethylphenyl)-N-[2-(4-mesylpiperazin-1-ium-1-yl)ethyl]oxamide Formula: C17H27N4O4S+ MolecularWeight: 383.48568

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C17H26N4O4S/c1-3-14-4-6-15(7-5-14)19-17(23)16(22)18-8-9-20-10-12-21(13-11-20)26(2,24)25/h4-7H,3,8-13H2,1-2H3,(H,18,22)(H,19,23)/p+1