ethyl 5-[4-[2-(4-fluorophenyl)ethylcarbamoyl]piperidin-1-yl]sulfonylfuran-2-carboxylate

Systemtic Name: ethyl 5-[4-[2-(4-fluorophenyl)ethylcarbamoyl]piperidin-1-yl]sulfonylfuran-2-carboxylate Openeye Name: ethyl 5-[[4-[2-(4-fluorophenyl)ethylcarbamoyl]-1-piperidyl]sulfonyl]furan-2-carboxylate CAS Name: 5-[[4-[[2-(4-fluorophenyl)ethylamino]-oxomethyl]-1-piperidinyl]sulfonyl]-2-furancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-[2-(4-fluorophenyl)ethylcarbamoyl]piperidin-1-yl]sulfonylfuran-2-carboxylate Traditional Name: 5-[4-[2-(4-fluorophenyl)ethylcarbamoyl]piperidino]sulfonylfuran-2-carboxylic acid ethyl ester Formula: C21H25FN2O6S MolecularWeight: 452.496403

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(O1)S(=O)(=O)N2CCC(CC2)C(=O)NCCC3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1=CC=C(O1)S(=O)(=O)N2CCC(CC2)C(=O)NCCC3=CC=C(C=C3)F

InChI

InChI=1S/C21H25FN2O6S/c1-2-29-21(26)18-7-8-19(30-18)31(27,28)24-13-10-16(11-14-24)20(25)23-12-9-15-3-5-17(22)6-4-15/h3-8,16H,2,9-14H2,1H3,(H,23,25)