N-propyl-2-[2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoylamino]ethanamide

Systemtic Name: N-propyl-2-[2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoylamino]ethanamide Openeye Name: N-propyl-2-[[2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]acetamide CAS Name: 2-[[1-oxo-2-[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazin-1-iumyl]ethyl]amino]-N-propylacetamide IUPAC Name: N-propyl-2-[[2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]acetamide Traditional Name: 2-[[2-(4-mesitylsulfonylpiperazin-1-ium-1-yl)acetyl]amino]-N-propyl-acetamide Formula: C20H33N4O4S+ MolecularWeight: 425.56542

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CNC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=C(C=C(C=C2C)C)C

Isomeric SMILES

CCCNC(=O)CNC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=C(C=C(C=C2C)C)C

InChI

InChI=1S/C20H32N4O4S/c1-5-6-21-18(25)13-22-19(26)14-23-7-9-24(10-8-23)29(27,28)20-16(3)11-15(2)12-17(20)4/h11-12H,5-10,13-14H2,1-4H3,(H,21,25)(H,22,26)/p+1