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

Systemtic Name: N-(3-cyanothiophen-2-yl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-cyano-2-thienyl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-(3-cyano-2-thiophenyl)-2-[4-(3-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-cyanothiophen-2-yl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-cyano-2-thienyl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C17H18FN4O3S2+ MolecularWeight: 409.478223

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=C(C=CS2)C#N)S(=O)(=O)C3=CC=CC(=C3)F

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=C(C=CS2)C#N)S(=O)(=O)C3=CC=CC(=C3)F

InChI

InChI=1S/C17H17FN4O3S2/c18-14-2-1-3-15(10-14)27(24,25)22-7-5-21(6-8-22)12-16(23)20-17-13(11-19)4-9-26-17/h1-4,9-10H,5-8,12H2,(H,20,23)/p+1