2-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]-N-[(2R)-2-cyano-3-methyl-butan-2-yl]ethanamide

Systemtic Name: 2-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]-N-[(2R)-2-cyano-3-methyl-butan-2-yl]ethanamide Openeye Name: 2-[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]-N-[(1R)-1-cyano-1,2-dimethyl-propyl]acetamide CAS Name: 2-[4-[(5-chloro-2-thiophenyl)sulfonyl]-1-piperazin-1-iumyl]-N-[(2R)-2-cyano-3-methylbutan-2-yl]acetamide IUPAC Name: 2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]-N-[(2R)-2-cyano-3-methylbutan-2-yl]acetamide Traditional Name: 2-[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]-N-[(1R)-1-cyano-1,2-dimethyl-propyl]acetamide Formula: C16H24ClN4O3S2+ MolecularWeight: 419.96976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23ClN4O3S2/c1-12(2)16(3,11-18)19-14(22)10-20-6-8-21(9-7-20)26(23,24)15-5-4-13(17)25-15/h4-5,12H,6-10H2,1-3H3,(H,19,22)/p+1/t16-/m0/s1