2-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]-N-(2-cyanopropan-2-yl)-N-methyl-ethanamide

Systemtic Name: 2-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]-N-(2-cyanopropan-2-yl)-N-methyl-ethanamide Openeye Name: 2-[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]-N-(1-cyano-1-methyl-ethyl)-N-methyl-acetamide CAS Name: 2-[4-[(5-chloro-2-thiophenyl)sulfonyl]-1-piperazin-1-iumyl]-N-(2-cyanopropan-2-yl)-N-methylacetamide IUPAC Name: 2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]-N-(2-cyanopropan-2-yl)-N-methylacetamide Traditional Name: 2-[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]-N-(1-cyano-1-methyl-ethyl)-N-methyl-acetamide Formula: C15H22ClN4O3S2+ MolecularWeight: 405.94318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21ClN4O3S2/c1-15(2,11-17)18(3)13(21)10-19-6-8-20(9-7-19)25(22,23)14-5-4-12(16)24-14/h4-5H,6-10H2,1-3H3/p+1