N-[(3,4-dimethoxyphenyl)methyl]-1-[(4-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-1-[(4-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-1-[(4-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-1-[(4-fluorophenyl)methylsulfonyl]-4-piperidinecarboxamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-1-[(4-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide Traditional Name: 1-(4-fluorobenzyl)sulfonyl-N-veratryl-isonipecotamide Formula: C22H27FN2O5S MolecularWeight: 450.523583

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=C(C=C3)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=C(C=C3)F)OC

InChI

InChI=1S/C22H27FN2O5S/c1-29-20-8-5-17(13-21(20)30-2)14-24-22(26)18-9-11-25(12-10-18)31(27,28)15-16-3-6-19(23)7-4-16/h3-8,13,18H,9-12,14-15H2,1-2H3,(H,24,26)