N-[[2-(ethoxymethyl)phenyl]methyl]-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[[2-(ethoxymethyl)phenyl]methyl]-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[[2-(ethoxymethyl)phenyl]methyl]-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[[2-(ethoxymethyl)phenyl]methyl]-1-(4-fluorophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[[2-(ethoxymethyl)phenyl]methyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(ethoxymethyl)benzyl]-1-(4-fluorophenyl)sulfonyl-isonipecotamide Formula: C22H27FN2O4S MolecularWeight: 434.524183

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=CC=CC=C1CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCOCC1=CC=CC=C1CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

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