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

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-1-[(2-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-1-[(2-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-1-[(2-fluorophenyl)methylsulfonyl]-4-piperidinecarboxamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-1-[(2-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide Traditional Name: 1-(2-fluorobenzyl)sulfonyl-N-veratryl-isonipecotamide Formula: C22H27FN2O5S MolecularWeight: 450.523583

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3F)OC

InChI

InChI=1S/C22H27FN2O5S/c1-29-20-8-7-16(13-21(20)30-2)14-24-22(26)17-9-11-25(12-10-17)31(27,28)15-18-5-3-4-6-19(18)23/h3-8,13,17H,9-12,14-15H2,1-2H3,(H,24,26)