N-[(3,4-dimethoxyphenyl)methyl]-3-fluoranyl-N-(pyridin-2-ylmethyl)benzenesulfonamide

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-3-fluoranyl-N-(pyridin-2-ylmethyl)benzenesulfonamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-3-fluoro-N-(2-pyridylmethyl)benzenesulfonamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-3-fluoro-N-(2-pyridinylmethyl)benzenesulfonamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-3-fluoro-N-(pyridin-2-ylmethyl)benzenesulfonamide Traditional Name: 3-fluoro-N-(2-pyridylmethyl)-N-veratryl-benzenesulfonamide Formula: C21H21FN2O4S MolecularWeight: 416.465843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN(CC2=CC=CC=N2)S(=O)(=O)C3=CC=CC(=C3)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN(CC2=CC=CC=N2)S(=O)(=O)C3=CC=CC(=C3)F)OC

InChI

InChI=1S/C21H21FN2O4S/c1-27-20-10-9-16(12-21(20)28-2)14-24(15-18-7-3-4-11-23-18)29(25,26)19-8-5-6-17(22)13-19/h3-13H,14-15H2,1-2H3