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

Systemtic Name: N-(3-cyano-4,5-dimethyl-furan-2-yl)-2-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-cyano-4,5-dimethyl-2-furyl)-2-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-(3-cyano-4,5-dimethyl-2-furanyl)-2-[4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-cyano-4,5-dimethyl-2-furyl)-2-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C20H24N5O7S+ MolecularWeight: 478.49886

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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(=C(C=C3)OC)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5O7S/c1-13-14(2)32-20(16(13)11-21)22-19(26)12-23-6-8-24(9-7-23)33(29,30)15-4-5-18(31-3)17(10-15)25(27)28/h4-5,10H,6-9,12H2,1-3H3,(H,22,26)/p+1