N-[(1R)-1-cyano-1-cyclopropyl-ethyl]-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(1R)-1-cyano-1-cyclopropyl-ethyl]-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-[(1R)-1-cyano-1-cyclopropyl-ethyl]-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-(3-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-[(1R)-1-cyano-1-cyclopropyl-ethyl]-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C18H24FN4O3S+ MolecularWeight: 395.471563

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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=CC(=C3)F

Isomeric SMILES

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

InChI

InChI=1S/C18H23FN4O3S/c1-18(13-20,14-5-6-14)21-17(24)12-22-7-9-23(10-8-22)27(25,26)16-4-2-3-15(19)11-16/h2-4,11,14H,5-10,12H2,1H3,(H,21,24)/p+1/t18-/m0/s1