ethyl 2-[4-[4-(furan-2-ylcarbonyl)piperazin-1-yl]carbonyl-2-nitro-phenyl]sulfonylethanoate

Systemtic Name: ethyl 2-[4-[4-(furan-2-ylcarbonyl)piperazin-1-yl]carbonyl-2-nitro-phenyl]sulfonylethanoate Openeye Name: ethyl 2-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-2-nitro-phenyl]sulfonylacetate CAS Name: 2-[4-[[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-oxomethyl]-2-nitrophenyl]sulfonylacetic acid ethyl ester IUPAC Name: ethyl 2-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-2-nitrophenyl]sulfonylacetate Traditional Name: 2-[4-[4-(2-furoyl)piperazine-1-carbonyl]-2-nitro-phenyl]sulfonylacetic acid ethyl ester Formula: C20H21N3O9S MolecularWeight: 479.46044

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CS(=O)(=O)C1=C(C=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=CC=CO3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CS(=O)(=O)C1=C(C=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=CC=CO3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O9S/c1-2-31-18(24)13-33(29,30)17-6-5-14(12-15(17)23(27)28)19(25)21-7-9-22(10-8-21)20(26)16-4-3-11-32-16/h3-6,11-12H,2,7-10,13H2,1H3