N-butyl-2-[4-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-butyl-2-[4-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-butyl-2-[4-[1-(2-fluorophenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-butyl-2-[4-[[1-(2-fluorophenyl)sulfonyl-4-piperidinyl]-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-butyl-2-[4-[1-(2-fluorophenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-butyl-2-[4-[1-(2-fluorophenyl)sulfonylisonipecotoyl]piperazin-1-ium-1-yl]acetamide Formula: C22H34FN4O4S+ MolecularWeight: 469.593163

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C[NH+]1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3F

Isomeric SMILES

CCCCNC(=O)C[NH+]1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3F

InChI

InChI=1S/C22H33FN4O4S/c1-2-3-10-24-21(28)17-25-13-15-26(16-14-25)22(29)18-8-11-27(12-9-18)32(30,31)20-7-5-4-6-19(20)23/h4-7,18H,2-3,8-17H2,1H3,(H,24,28)/p+1