N-(butylcarbamoyl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(butylcarbamoyl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(butylcarbamoyl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-[butylamino(oxo)methyl]-2-[4-(3-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(butylcarbamoyl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(butylcarbamoyl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C17H26FN4O4S+ MolecularWeight: 401.476143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25FN4O4S/c1-2-3-7-19-17(24)20-16(23)13-21-8-10-22(11-9-21)27(25,26)15-6-4-5-14(18)12-15/h4-6,12H,2-3,7-11,13H2,1H3,(H2,19,20,23,24)/p+1