N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethyl-pyrrol-2-yl]-2-[4-(diethylsulfamoyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethyl-pyrrol-2-yl]-2-[4-(diethylsulfamoyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[3-cyano-1-(2-furylmethyl)-4,5-dimethyl-pyrrol-2-yl]-2-[4-(diethylsulfamoyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[3-cyano-1-(2-furanylmethyl)-4,5-dimethyl-2-pyrrolyl]-2-[4-(diethylsulfamoyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-[4-(diethylsulfamoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[3-cyano-1-(2-furfuryl)-4,5-dimethyl-pyrrol-2-yl]-2-[4-(diethylsulfamoyl)piperazin-1-ium-1-yl]acetamide Formula: C22H33N6O4S+ MolecularWeight: 477.60022

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)N1CC[NH+](CC1)CC(=O)NC2=C(C(=C(N2CC3=CC=CO3)C)C)C#N

Isomeric SMILES

CCN(CC)S(=O)(=O)N1CC[NH+](CC1)CC(=O)NC2=C(C(=C(N2CC3=CC=CO3)C)C)C#N

InChI

InChI=1S/C22H32N6O4S/c1-5-26(6-2)33(30,31)27-11-9-25(10-12-27)16-21(29)24-22-20(14-23)17(3)18(4)28(22)15-19-8-7-13-32-19/h7-8,13H,5-6,9-12,15-16H2,1-4H3,(H,24,29)/p+1