ethyl 1-[3-[(4-bromanyl-2-fluoranyl-phenyl)carbamoyl]-4-fluoranyl-phenyl]sulfonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[3-[(4-bromanyl-2-fluoranyl-phenyl)carbamoyl]-4-fluoranyl-phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[3-[(4-bromo-2-fluoro-phenyl)carbamoyl]-4-fluoro-phenyl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[3-[(4-bromo-2-fluoroanilino)-oxomethyl]-4-fluorophenyl]sulfonyl-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[(4-bromo-2-fluorophenyl)carbamoyl]-4-fluorophenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[3-[(4-bromo-2-fluoro-phenyl)carbamoyl]-4-fluoro-phenyl]sulfonylisonipecotic acid ethyl ester Formula: C21H21BrF2N2O5S MolecularWeight: 531.367646

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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=C(C=C(C=C3)Br)F

Isomeric SMILES

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

InChI

InChI=1S/C21H21BrF2N2O5S/c1-2-31-21(28)13-7-9-26(10-8-13)32(29,30)15-4-5-17(23)16(12-15)20(27)25-19-6-3-14(22)11-18(19)24/h3-6,11-13H,2,7-10H2,1H3,(H,25,27)