2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(2S)-6-methylheptan-2-yl]ethanamide

Systemtic Name: 2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(2S)-6-methylheptan-2-yl]ethanamide Openeye Name: N-[(1S)-1,5-dimethylhexyl]-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-(2-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]-N-[(2S)-6-methylheptan-2-yl]acetamide IUPAC Name: 2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(2S)-6-methylheptan-2-yl]acetamide Traditional Name: N-[(1S)-1,5-dimethylhexyl]-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C20H33FN3O3S+ MolecularWeight: 414.557723

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC=C2F

Isomeric SMILES

C[C@@H](CCCC(C)C)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC=C2F

InChI

InChI=1S/C20H32FN3O3S/c1-16(2)7-6-8-17(3)22-20(25)15-23-11-13-24(14-12-23)28(26,27)19-10-5-4-9-18(19)21/h4-5,9-10,16-17H,6-8,11-15H2,1-3H3,(H,22,25)/p+1/t17-/m0/s1