ethyl 5-[4-(3,4,5-trimethoxyphenyl)carbonylpiperazin-1-yl]sulfonylfuran-2-carboxylate

Systemtic Name: ethyl 5-[4-(3,4,5-trimethoxyphenyl)carbonylpiperazin-1-yl]sulfonylfuran-2-carboxylate Openeye Name: ethyl 5-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]sulfonylfuran-2-carboxylate CAS Name: 5-[[4-[oxo-(3,4,5-trimethoxyphenyl)methyl]-1-piperazinyl]sulfonyl]-2-furancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]sulfonylfuran-2-carboxylate Traditional Name: 5-[4-(3,4,5-trimethoxybenzoyl)piperazino]sulfonylfuran-2-carboxylic acid ethyl ester Formula: C21H26N2O9S MolecularWeight: 482.50414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O9S/c1-5-31-21(25)15-6-7-18(32-15)33(26,27)23-10-8-22(9-11-23)20(24)14-12-16(28-2)19(30-4)17(13-14)29-3/h6-7,12-13H,5,8-11H2,1-4H3