N-[(3-ethoxyphenyl)methyl]-1-[(2-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide

Systemtic Name: N-[(3-ethoxyphenyl)methyl]-1-[(2-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide Openeye Name: N-[(3-ethoxyphenyl)methyl]-1-[(2-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide CAS Name: N-[(3-ethoxyphenyl)methyl]-1-[(2-fluorophenyl)methylsulfonyl]-4-piperidinecarboxamide IUPAC Name: N-[(3-ethoxyphenyl)methyl]-1-[(2-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide Traditional Name: N-(3-ethoxybenzyl)-1-(2-fluorobenzyl)sulfonyl-isonipecotamide Formula: C22H27FN2O4S MolecularWeight: 434.524183

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3F

Isomeric SMILES

CCOC1=CC=CC(=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3F

InChI

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