N-[4-[4-(2-fluorophenyl)piperazin-4-ium-1-yl]sulfonylphenyl]ethanamide chloride

Systemtic Name: N-[4-[4-(2-fluorophenyl)piperazin-4-ium-1-yl]sulfonylphenyl]ethanamide chloride Openeye Name: N-[4-[4-(2-fluorophenyl)piperazin-4-ium-1-yl]sulfonylphenyl]acetamide chloride CAS Name: N-[4-[[4-(2-fluorophenyl)-1-piperazin-4-iumyl]sulfonyl]phenyl]acetamide chloride IUPAC Name: N-[4-[4-(2-fluorophenyl)piperazin-4-ium-1-yl]sulfonylphenyl]acetamide chloride Traditional Name: N-[4-[4-(2-fluorophenyl)piperazin-4-ium-1-yl]sulfonylphenyl]acetamide chloride Formula: C18H21ClFN3O3S MolecularWeight: 413.894043

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C3=CC=CC=C3F.[Cl-]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C3=CC=CC=C3F.[Cl-]

InChI

InChI=1S/C18H20FN3O3S.ClH/c1-14(23)20-15-6-8-16(9-7-15)26(24,25)22-12-10-21(11-13-22)18-5-3-2-4-17(18)19;/h2-9H,10-13H2,1H3,(H,20,23);1H