2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(2S)-heptan-2-yl]ethanamide

Systemtic Name: 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(2S)-heptan-2-yl]ethanamide Openeye Name: 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1S)-1-methylhexyl]acetamide CAS Name: 2-[4-(4-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]-N-[(2S)-heptan-2-yl]acetamide IUPAC Name: 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(2S)-heptan-2-yl]acetamide Traditional Name: 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1S)-1-methylhexyl]acetamide Formula: C19H31FN3O3S+ MolecularWeight: 400.531143

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CCCCC[C@H](C)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C19H30FN3O3S/c1-3-4-5-6-16(2)21-19(24)15-22-11-13-23(14-12-22)27(25,26)18-9-7-17(20)8-10-18/h7-10,16H,3-6,11-15H2,1-2H3,(H,21,24)/p+1/t16-/m0/s1