N-[(4-ethoxyphenyl)methyl]-1-[(4-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide

Systemtic Name: N-[(4-ethoxyphenyl)methyl]-1-[(4-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide Openeye Name: N-[(4-ethoxyphenyl)methyl]-1-[(4-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide CAS Name: N-[(4-ethoxyphenyl)methyl]-1-[(4-fluorophenyl)methylsulfonyl]-4-piperidinecarboxamide IUPAC Name: N-[(4-ethoxyphenyl)methyl]-1-[(4-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide Traditional Name: N-(4-ethoxybenzyl)-1-(4-fluorobenzyl)sulfonyl-isonipecotamide Formula: C22H27FN2O4S MolecularWeight: 434.524183

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=C(C=C3)F

Isomeric SMILES

CCOC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=C(C=C3)F

InChI

InChI=1S/C22H27FN2O4S/c1-2-29-21-9-5-17(6-10-21)15-24-22(26)19-11-13-25(14-12-19)30(27,28)16-18-3-7-20(23)8-4-18/h3-10,19H,2,11-16H2,1H3,(H,24,26)