ethyl 5-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]sulfonylfuran-2-carboxylate

Systemtic Name: ethyl 5-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]sulfonylfuran-2-carboxylate Openeye Name: ethyl 5-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]sulfonylfuran-2-carboxylate CAS Name: 5-[[4-[1,3-benzodioxol-5-yl(oxo)methyl]-1-piperazinyl]sulfonyl]-2-furancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]sulfonylfuran-2-carboxylate Traditional Name: 5-(4-piperonyloylpiperazino)sulfonylfuran-2-carboxylic acid ethyl ester Formula: C19H20N2O8S MolecularWeight: 436.4357

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(O1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)C1=CC=C(O1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H20N2O8S/c1-2-26-19(23)15-5-6-17(29-15)30(24,25)21-9-7-20(8-10-21)18(22)13-3-4-14-16(11-13)28-12-27-14/h3-6,11H,2,7-10,12H2,1H3