3-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-3-oxidanylidene-2-pyridin-2-yl-propanenitrile

Systemtic Name: 3-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-3-oxidanylidene-2-pyridin-2-yl-propanenitrile Openeye Name: 3-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-3-oxo-2-(2-pyridyl)propanenitrile CAS Name: 3-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-3-oxo-2-(2-pyridinyl)propanenitrile IUPAC Name: 3-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-3-oxo-2-pyridin-2-ylpropanenitrile Traditional Name: 3-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-3-keto-2-(2-pyridyl)propionitrile Formula: C23H19N3O3S MolecularWeight: 417.48026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)C(C#N)C4=CC=CC=N4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)C(C#N)C4=CC=CC=N4

InChI

InChI=1S/C23H19N3O3S/c24-15-21(22-10-3-4-12-25-22)23(27)18-8-5-9-20(14-18)30(28,29)26-13-11-17-6-1-2-7-19(17)16-26/h1-10,12,14,21H,11,13,16H2