1-(3-chloranyl-4-fluoranyl-phenyl)sulfonyl-N-[(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxamide

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)sulfonyl-N-[(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxamide Openeye Name: 1-(3-chloro-4-fluoro-phenyl)sulfonyl-N-[(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxamide CAS Name: 1-(3-chloro-4-fluorophenyl)sulfonyl-N-[(2,5-dimethoxyphenyl)methyl]-4-piperidinecarboxamide IUPAC Name: 1-(3-chloro-4-fluorophenyl)sulfonyl-N-[(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxamide Traditional Name: 1-(3-chloro-4-fluoro-phenyl)sulfonyl-N-(2,5-dimethoxybenzyl)isonipecotamide Formula: C21H24ClFN2O5S MolecularWeight: 470.942063

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

InChI

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