3-[[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]benzenecarbonitrile

Systemtic Name: 3-[[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]benzenecarbonitrile Openeye Name: 3-[[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]benzonitrile CAS Name: 3-[[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]benzonitrile IUPAC Name: 3-[[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]benzonitrile Traditional Name: 3-[[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]benzonitrile Formula: C21H22N2O5S MolecularWeight: 414.47478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=C1)OC)C2=CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C#N)OC

Isomeric SMILES

COC1=CC(=C(C(=C1)OC)C2=CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C#N)OC

InChI

InChI=1S/C21H22N2O5S/c1-26-17-12-19(27-2)21(20(13-17)28-3)16-7-9-23(10-8-16)29(24,25)18-6-4-5-15(11-18)14-22/h4-7,11-13H,8-10H2,1-3H3