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

Systemtic Name: 2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-methylbutylcarbamoyl)ethanamide Openeye Name: 2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(isopentylcarbamoyl)acetamide CAS Name: 2-[4-(3-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]-N-[(3-methylbutylamino)-oxomethyl]acetamide IUPAC Name: 2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-methylbutylcarbamoyl)acetamide Traditional Name: 2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(isoamylcarbamoyl)acetamide Formula: C18H28FN4O4S+ MolecularWeight: 415.502723

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27FN4O4S/c1-14(2)6-7-20-18(25)21-17(24)13-22-8-10-23(11-9-22)28(26,27)16-5-3-4-15(19)12-16/h3-5,12,14H,6-11,13H2,1-2H3,(H2,20,21,24,25)/p+1