ethyl 5-[4-(2,4-dimethylphenyl)carbonylpiperazin-1-yl]sulfonylfuran-2-carboxylate

Systemtic Name: ethyl 5-[4-(2,4-dimethylphenyl)carbonylpiperazin-1-yl]sulfonylfuran-2-carboxylate Openeye Name: ethyl 5-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]sulfonylfuran-2-carboxylate CAS Name: 5-[[4-[(2,4-dimethylphenyl)-oxomethyl]-1-piperazinyl]sulfonyl]-2-furancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]sulfonylfuran-2-carboxylate Traditional Name: 5-[4-(2,4-dimethylbenzoyl)piperazino]sulfonylfuran-2-carboxylic acid ethyl ester Formula: C20H24N2O6S MolecularWeight: 420.47936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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