2-(4-methylsulfonylphenyl)-3-[3-(6-propan-2-ylquinolin-8-yl)phenyl]propanenitrile

Systemtic Name: 2-(4-methylsulfonylphenyl)-3-[3-(6-propan-2-ylquinolin-8-yl)phenyl]propanenitrile Openeye Name: 3-[3-(6-isopropyl-8-quinolyl)phenyl]-2-(4-methylsulfonylphenyl)propanenitrile CAS Name: 2-(4-methylsulfonylphenyl)-3-[3-(6-propan-2-yl-8-quinolinyl)phenyl]propanenitrile IUPAC Name: 2-(4-methylsulfonylphenyl)-3-[3-(6-propan-2-ylquinolin-8-yl)phenyl]propanenitrile Traditional Name: 3-[3-(6-isopropyl-8-quinolyl)phenyl]-2-(4-mesylphenyl)propionitrile Formula: C28H26N2O2S MolecularWeight: 454.58324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C2C(=C1)C=CC=N2)C3=CC(=CC=C3)CC(C#N)C4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CC(C)C1=CC(=C2C(=C1)C=CC=N2)C3=CC(=CC=C3)CC(C#N)C4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C28H26N2O2S/c1-19(2)24-16-23-8-5-13-30-28(23)27(17-24)22-7-4-6-20(14-22)15-25(18-29)21-9-11-26(12-10-21)33(3,31)32/h4-14,16-17,19,25H,15H2,1-3H3