N-[(2S)-2-ethylhexyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[(2S)-2-ethylhexyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(2S)-2-ethylhexyl]-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[(2S)-2-ethylhexyl]-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[(2S)-2-ethylhexyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[(2S)-2-ethylhexyl]-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide Formula: C18H32N3O3S2+ MolecularWeight: 402.59498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CS2

Isomeric SMILES

CCCC[C@H](CC)CNC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CS2

InChI

InChI=1S/C18H31N3O3S2/c1-3-5-7-16(4-2)14-19-17(22)15-20-9-11-21(12-10-20)26(23,24)18-8-6-13-25-18/h6,8,13,16H,3-5,7,9-12,14-15H2,1-2H3,(H,19,22)/p+1/t16-/m0/s1