N-(2,6-diethylphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(2,6-diethylphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(2,6-diethylphenyl)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,6-diethylphenyl)-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(2,6-diethylphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(2,6-diethylphenyl)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide Formula: C20H28N3O3S2+ MolecularWeight: 422.58462

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C20H27N3O3S2/c1-3-16-7-5-8-17(4-2)20(16)21-18(24)15-22-10-12-23(13-11-22)28(25,26)19-9-6-14-27-19/h5-9,14H,3-4,10-13,15H2,1-2H3,(H,21,24)/p+1