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

Systemtic Name: ethyl 5-[4-[3,5-bis(fluoranyl)phenyl]carbonylpiperazin-1-yl]sulfonylfuran-2-carboxylate Openeye Name: ethyl 5-[4-(3,5-difluorobenzoyl)piperazin-1-yl]sulfonylfuran-2-carboxylate CAS Name: 5-[[4-[(3,5-difluorophenyl)-oxomethyl]-1-piperazinyl]sulfonyl]-2-furancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-(3,5-difluorobenzoyl)piperazin-1-yl]sulfonylfuran-2-carboxylate Traditional Name: 5-[4-(3,5-difluorobenzoyl)piperazino]sulfonylfuran-2-carboxylic acid ethyl ester Formula: C18H18F2N2O6S MolecularWeight: 428.407126

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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(=CC(=C3)F)F

Isomeric SMILES

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

InChI

InChI=1S/C18H18F2N2O6S/c1-2-27-18(24)15-3-4-16(28-15)29(25,26)22-7-5-21(6-8-22)17(23)12-9-13(19)11-14(20)10-12/h3-4,9-11H,2,5-8H2,1H3