2-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]-N-[(1R)-1-cyano-1-cyclopropyl-ethyl]ethanamide

Systemtic Name: 2-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]-N-[(1R)-1-cyano-1-cyclopropyl-ethyl]ethanamide Openeye Name: 2-[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]-N-[(1R)-1-cyano-1-cyclopropyl-ethyl]acetamide CAS Name: 2-[4-[(5-chloro-2-thiophenyl)sulfonyl]-1-piperazin-1-iumyl]-N-[(1R)-1-cyano-1-cyclopropylethyl]acetamide IUPAC Name: 2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]-N-[(1R)-1-cyano-1-cyclopropylethyl]acetamide Traditional Name: 2-[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]-N-[(1R)-1-cyano-1-cyclopropyl-ethyl]acetamide Formula: C16H22ClN4O3S2+ MolecularWeight: 417.95388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1CC1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl

Isomeric SMILES

C[C@](C#N)(C1CC1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C16H21ClN4O3S2/c1-16(11-18,12-2-3-12)19-14(22)10-20-6-8-21(9-7-20)26(23,24)15-5-4-13(17)25-15/h4-5,12H,2-3,6-10H2,1H3,(H,19,22)/p+1/t16-/m0/s1