N-[(2,3-dimethoxyphenyl)methyl]-1-(6-fluoranylquinolin-4-yl)-N-methylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(2,3-dimethoxyphenyl)methyl]-1-(6-fluoranylquinolin-4-yl)-N-methylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[(2,3-dimethoxyphenyl)methyl]-1-(6-fluoro-4-quinolyl)-N-methylsulfonyl-piperidine-4-carboxamide CAS Name: N-[(2,3-dimethoxyphenyl)methyl]-1-(6-fluoro-4-quinolinyl)-N-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(2,3-dimethoxyphenyl)methyl]-1-(6-fluoroquinolin-4-yl)-N-methylsulfonylpiperidine-4-carboxamide Traditional Name: 1-(6-fluoro-4-quinolyl)-N-mesyl-N-o-veratryl-isonipecotamide Formula: C25H28FN3O5S MolecularWeight: 501.570323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)CN(C(=O)C2CCN(CC2)C3=C4C=C(C=CC4=NC=C3)F)S(=O)(=O)C

Isomeric SMILES

COC1=CC=CC(=C1OC)CN(C(=O)C2CCN(CC2)C3=C4C=C(C=CC4=NC=C3)F)S(=O)(=O)C

InChI

InChI=1S/C25H28FN3O5S/c1-33-23-6-4-5-18(24(23)34-2)16-29(35(3,31)32)25(30)17-10-13-28(14-11-17)22-9-12-27-21-8-7-19(26)15-20(21)22/h4-9,12,15,17H,10-11,13-14,16H2,1-3H3