2-[5-(4-ethylpiperazin-4-ium-1-yl)sulfonylthiophen-2-yl]ethanoate

Systemtic Name: 2-[5-(4-ethylpiperazin-4-ium-1-yl)sulfonylthiophen-2-yl]ethanoate Openeye Name: 2-[5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-2-thienyl]acetate CAS Name: 2-[5-[(4-ethyl-1-piperazin-4-iumyl)sulfonyl]-2-thiophenyl]acetate IUPAC Name: 2-[5-(4-ethylpiperazin-4-ium-1-yl)sulfonylthiophen-2-yl]acetate Traditional Name: 2-[5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-2-thienyl]acetate Formula: C12H18N2O4S2 MolecularWeight: 318.41232

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(S2)CC(=O)[O-]

Isomeric SMILES

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(S2)CC(=O)[O-]

InChI

InChI=1S/C12H18N2O4S2/c1-2-13-5-7-14(8-6-13)20(17,18)12-4-3-10(19-12)9-11(15)16/h3-4H,2,5-9H2,1H3,(H,15,16)