2-[4-(2-fluorophenyl)carbonylpiperazin-1-ium-1-yl]-N-(3-methylsulfonylphenyl)ethanamide

Systemtic Name: 2-[4-(2-fluorophenyl)carbonylpiperazin-1-ium-1-yl]-N-(3-methylsulfonylphenyl)ethanamide Openeye Name: 2-[4-(2-fluorobenzoyl)piperazin-1-ium-1-yl]-N-(3-methylsulfonylphenyl)acetamide CAS Name: 2-[4-[(2-fluorophenyl)-oxomethyl]-1-piperazin-1-iumyl]-N-(3-methylsulfonylphenyl)acetamide IUPAC Name: 2-[4-(2-fluorobenzoyl)piperazin-1-ium-1-yl]-N-(3-methylsulfonylphenyl)acetamide Traditional Name: 2-[4-(2-fluorobenzoyl)piperazin-1-ium-1-yl]-N-(3-mesylphenyl)acetamide Formula: C20H23FN3O4S+ MolecularWeight: 420.477723

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3F

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3F

InChI

InChI=1S/C20H22FN3O4S/c1-29(27,28)16-6-4-5-15(13-16)22-19(25)14-23-9-11-24(12-10-23)20(26)17-7-2-3-8-18(17)21/h2-8,13H,9-12,14H2,1H3,(H,22,25)/p+1