N-(3-cyano-4,5-dimethyl-furan-2-yl)-2-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-cyano-4,5-dimethyl-furan-2-yl)-2-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-cyano-4,5-dimethyl-2-furyl)-2-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-(3-cyano-4,5-dimethyl-2-furanyl)-2-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-cyano-4,5-dimethyl-2-furyl)-2-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C20H24N5O6S+ MolecularWeight: 462.49946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=C(C(=C(O3)C)C)C#N

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=C(C(=C(O3)C)C)C#N

InChI

InChI=1S/C20H23N5O6S/c1-13-4-5-16(25(27)28)10-18(13)32(29,30)24-8-6-23(7-9-24)12-19(26)22-20-17(11-21)14(2)15(3)31-20/h4-5,10H,6-9,12H2,1-3H3,(H,22,26)/p+1