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

Systemtic Name: N-[(4-fluorophenyl)methyl]-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-[(4-fluorophenyl)methyl]-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-[(4-fluorophenyl)methyl]-2-[4-(3-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(4-fluorophenyl)methyl]-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-fluorobenzyl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C19H22F2N3O3S+ MolecularWeight: 410.458086

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCC2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC(=C3)F

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCC2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC(=C3)F

InChI

InChI=1S/C19H21F2N3O3S/c20-16-6-4-15(5-7-16)13-22-19(25)14-23-8-10-24(11-9-23)28(26,27)18-3-1-2-17(21)12-18/h1-7,12H,8-11,13-14H2,(H,22,25)/p+1