2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamide

Systemtic Name: 2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamide Openeye Name: 2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide CAS Name: 2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide IUPAC Name: 2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide Traditional Name: 2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]-N-(2,4,5-trimethoxybenzyl)acetamide Formula: C20H28N3O6S2+ MolecularWeight: 470.58282

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CNC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1CNC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3)OC)OC

InChI

InChI=1S/C20H27N3O6S2/c1-27-16-12-18(29-3)17(28-2)11-15(16)13-21-19(24)14-22-6-8-23(9-7-22)31(25,26)20-5-4-10-30-20/h4-5,10-12H,6-9,13-14H2,1-3H3,(H,21,24)/p+1