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

Systemtic Name: N-(3-cyanophenyl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-cyanophenyl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-(3-cyanophenyl)-2-[4-(3-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-cyanophenyl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-cyanophenyl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C19H20FN4O3S+ MolecularWeight: 403.450503

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC(=C2)C#N)S(=O)(=O)C3=CC=CC(=C3)F

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC(=C2)C#N)S(=O)(=O)C3=CC=CC(=C3)F

InChI

InChI=1S/C19H19FN4O3S/c20-16-4-2-6-18(12-16)28(26,27)24-9-7-23(8-10-24)14-19(25)22-17-5-1-3-15(11-17)13-21/h1-6,11-12H,7-10,14H2,(H,22,25)/p+1