1-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfonyl]-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide

Systemtic Name: 1-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfonyl]-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide Openeye Name: 1-[(2-chloro-6-fluoro-phenyl)methylsulfonyl]-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide CAS Name: 1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-(2,5-dimethoxyphenyl)-4-piperidinecarboxamide IUPAC Name: 1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide Traditional Name: 1-(2-chloro-6-fluoro-benzyl)sulfonyl-N-(2,5-dimethoxyphenyl)isonipecotamide Formula: C21H24ClFN2O5S MolecularWeight: 470.942063

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C21H24ClFN2O5S/c1-29-15-6-7-20(30-2)19(12-15)24-21(26)14-8-10-25(11-9-14)31(27,28)13-16-17(22)4-3-5-18(16)23/h3-7,12,14H,8-11,13H2,1-2H3,(H,24,26)