2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-ethylpent-1-yn-3-yl)ethanamide

Systemtic Name: 2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-ethylpent-1-yn-3-yl)ethanamide Openeye Name: N-(1,1-diethylprop-2-ynyl)-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-(4-ethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]-N-(3-ethylpent-1-yn-3-yl)acetamide IUPAC Name: 2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-ethylpent-1-yn-3-yl)acetamide Traditional Name: N-(1,1-diethylprop-2-ynyl)-2-(4-p-phenetylsulfonylpiperazin-1-ium-1-yl)acetamide Formula: C21H32N3O4S+ MolecularWeight: 422.56148

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#C)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OCC

Isomeric SMILES

CCC(CC)(C#C)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OCC

InChI

InChI=1S/C21H31N3O4S/c1-5-21(6-2,7-3)22-20(25)17-23-13-15-24(16-14-23)29(26,27)19-11-9-18(10-12-19)28-8-4/h1,9-12H,6-8,13-17H2,2-4H3,(H,22,25)/p+1