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

Systemtic Name: N-[(4-ethoxyphenyl)methyl]-1-[(2-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide Openeye Name: N-[(4-ethoxyphenyl)methyl]-1-[(2-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide CAS Name: N-[(4-ethoxyphenyl)methyl]-1-[(2-fluorophenyl)methylsulfonyl]-4-piperidinecarboxamide IUPAC Name: N-[(4-ethoxyphenyl)methyl]-1-[(2-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide Traditional Name: N-(4-ethoxybenzyl)-1-(2-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=CC=C3F

Isomeric SMILES

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

InChI

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