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

Systemtic Name: ethyl 1-[3-[(2,3-dimethylphenyl)carbamoyl]-4-fluoranyl-phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[3-[(2,3-dimethylphenyl)carbamoyl]-4-fluoro-phenyl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[3-[(2,3-dimethylanilino)-oxomethyl]-4-fluorophenyl]sulfonyl-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[(2,3-dimethylphenyl)carbamoyl]-4-fluorophenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[3-[(2,3-dimethylphenyl)carbamoyl]-4-fluoro-phenyl]sulfonylisonipecotic acid ethyl ester Formula: C23H27FN2O5S MolecularWeight: 462.534283

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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(=C3C)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)NC3=CC=CC(=C3C)C

InChI

InChI=1S/C23H27FN2O5S/c1-4-31-23(28)17-10-12-26(13-11-17)32(29,30)18-8-9-20(24)19(14-18)22(27)25-21-7-5-6-15(2)16(21)3/h5-9,14,17H,4,10-13H2,1-3H3,(H,25,27)