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

Systemtic Name: ethyl 1-[3-[(3-chlorophenyl)carbamoyl]-4-fluoranyl-phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[3-[(3-chlorophenyl)carbamoyl]-4-fluoro-phenyl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[3-[(3-chloroanilino)-oxomethyl]-4-fluorophenyl]sulfonyl-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[(3-chlorophenyl)carbamoyl]-4-fluorophenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[3-[(3-chlorophenyl)carbamoyl]-4-fluoro-phenyl]sulfonylisonipecotic acid ethyl ester Formula: C21H22ClFN2O5S MolecularWeight: 468.926183

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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(=CC=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClFN2O5S/c1-2-30-21(27)14-8-10-25(11-9-14)31(28,29)17-6-7-19(23)18(13-17)20(26)24-16-5-3-4-15(22)12-16/h3-7,12-14H,2,8-11H2,1H3,(H,24,26)