N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-4-methylsulfonyl-benzamide

Systemtic Name: N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-4-methylsulfonyl-benzamide Openeye Name: N-[4-methoxy-3-(3-pyridylmethoxy)phenyl]-4-methylsulfonyl-benzamide CAS Name: N-[4-methoxy-3-(3-pyridinylmethoxy)phenyl]-4-methylsulfonylbenzamide IUPAC Name: N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-4-methylsulfonylbenzamide Traditional Name: 4-mesyl-N-[4-methoxy-3-(3-pyridylmethoxy)phenyl]benzamide Formula: C21H20N2O5S MolecularWeight: 412.4589

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)C)OCC3=CN=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)C)OCC3=CN=CC=C3

InChI

InChI=1S/C21H20N2O5S/c1-27-19-10-7-17(12-20(19)28-14-15-4-3-11-22-13-15)23-21(24)16-5-8-18(9-6-16)29(2,25)26/h3-13H,14H2,1-2H3,(H,23,24)