ethyl 4-[4-(2,5-dimethylfuran-3-yl)carbonylpiperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-(2,5-dimethylfuran-3-yl)carbonylpiperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[(2,5-dimethyl-3-furanyl)-oxomethyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(2,5-dimethyl-3-furoyl)piperazino]sulfonylbenzoic acid ethyl ester Formula: C20H24N2O6S MolecularWeight: 420.47936

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(OC(=C3)C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(OC(=C3)C)C

InChI

InChI=1S/C20H24N2O6S/c1-4-27-20(24)16-5-7-17(8-6-16)29(25,26)22-11-9-21(10-12-22)19(23)18-13-14(2)28-15(18)3/h5-8,13H,4,9-12H2,1-3H3