ethyl 1-[4-fluoranyl-3-[(4-fluorophenyl)carbamoyl]phenyl]sulfonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[4-fluoranyl-3-[(4-fluorophenyl)carbamoyl]phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[4-fluoro-3-[(4-fluorophenyl)carbamoyl]phenyl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[4-fluoro-3-[(4-fluoroanilino)-oxomethyl]phenyl]sulfonyl-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-fluoro-3-[(4-fluorophenyl)carbamoyl]phenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[4-fluoro-3-[(4-fluorophenyl)carbamoyl]phenyl]sulfonylisonipecotic acid ethyl ester Formula: C21H22F2N2O5S MolecularWeight: 452.471586

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C21H22F2N2O5S/c1-2-30-21(27)14-9-11-25(12-10-14)31(28,29)17-7-8-19(23)18(13-17)20(26)24-16-5-3-15(22)4-6-16/h3-8,13-14H,2,9-12H2,1H3,(H,24,26)