ethyl 5-[4-(3-thiophen-3-ylpropanoyl)piperazin-1-yl]sulfonylfuran-2-carboxylate

Systemtic Name: ethyl 5-[4-(3-thiophen-3-ylpropanoyl)piperazin-1-yl]sulfonylfuran-2-carboxylate Openeye Name: ethyl 5-[4-[3-(3-thienyl)propanoyl]piperazin-1-yl]sulfonylfuran-2-carboxylate CAS Name: 5-[[4-[1-oxo-3-(3-thiophenyl)propyl]-1-piperazinyl]sulfonyl]-2-furancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-(3-thiophen-3-ylpropanoyl)piperazin-1-yl]sulfonylfuran-2-carboxylate Traditional Name: 5-[4-[3-(3-thienyl)propanoyl]piperazino]sulfonylfuran-2-carboxylic acid ethyl ester Formula: C18H22N2O6S2 MolecularWeight: 426.50708

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(O1)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=CSC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(O1)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=CSC=C3

InChI

InChI=1S/C18H22N2O6S2/c1-2-25-18(22)15-4-6-17(26-15)28(23,24)20-10-8-19(9-11-20)16(21)5-3-14-7-12-27-13-14/h4,6-7,12-13H,2-3,5,8-11H2,1H3