N-(3-cyano-4,5-dimethyl-furan-2-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(3-cyano-4,5-dimethyl-furan-2-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(3-cyano-4,5-dimethyl-2-furyl)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-cyano-4,5-dimethyl-2-furanyl)-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(3-cyano-4,5-dimethyl-2-furyl)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide Formula: C17H21N4O4S2+ MolecularWeight: 409.50304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1C#N)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3)C

Isomeric SMILES

CC1=C(OC(=C1C#N)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3)C

InChI

InChI=1S/C17H20N4O4S2/c1-12-13(2)25-17(14(12)10-18)19-15(22)11-20-5-7-21(8-6-20)27(23,24)16-4-3-9-26-16/h3-4,9H,5-8,11H2,1-2H3,(H,19,22)/p+1