3-[2-chloranyl-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-3-oxidanylidene-2-pyridin-2-yl-propanenitrile

Systemtic Name: 3-[2-chloranyl-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-3-oxidanylidene-2-pyridin-2-yl-propanenitrile Openeye Name: 3-[2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-3-oxo-2-(2-pyridyl)propanenitrile CAS Name: 3-[2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-3-oxo-2-(2-pyridinyl)propanenitrile IUPAC Name: 3-[2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-3-oxo-2-pyridin-2-ylpropanenitrile Traditional Name: 3-[2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-3-keto-2-(2-pyridyl)propionitrile Formula: C23H18ClN3O3S MolecularWeight: 451.92532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H18ClN3O3S/c24-21-9-8-18(13-19(21)23(28)20(14-25)22-7-3-4-11-26-22)31(29,30)27-12-10-16-5-1-2-6-17(16)15-27/h1-9,11,13,20H,10,12,15H2