3-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

Systemtic Name: 3-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide Openeye Name: 3-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(5-methylisoxazol-3-yl)propanamide CAS Name: 3-[4-(3-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]-N-(5-methyl-3-isoxazolyl)propanamide IUPAC Name: 3-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide Traditional Name: 3-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(5-methylisoxazol-3-yl)propionamide Formula: C17H22FN4O4S+ MolecularWeight: 397.444383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)CC[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F

Isomeric SMILES

CC1=CC(=NO1)NC(=O)CC[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F

InChI

InChI=1S/C17H21FN4O4S/c1-13-11-16(20-26-13)19-17(23)5-6-21-7-9-22(10-8-21)27(24,25)15-4-2-3-14(18)12-15/h2-4,11-12H,5-10H2,1H3,(H,19,20,23)/p+1