N-[(3,4-dimethoxyphenyl)methyl]-1-(5-fluoranyl-2-methoxy-phenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-1-(5-fluoranyl-2-methoxy-phenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-1-(5-fluoro-2-methoxy-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: 1-(5-fluoro-2-methoxy-phenyl)sulfonyl-N-veratryl-isonipecotamide Formula: C22H27FN2O6S MolecularWeight: 466.522983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27FN2O6S/c1-29-18-6-4-15(12-20(18)31-3)14-24-22(26)16-8-10-25(11-9-16)32(27,28)21-13-17(23)5-7-19(21)30-2/h4-7,12-13,16H,8-11,14H2,1-3H3,(H,24,26)