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

Systemtic Name: 3-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]propanenitrile Openeye Name: 2-[3-(6-isopropyl-8-quinolyl)phenyl]-3-(4-methylsulfonylphenyl)propanenitrile CAS Name: 3-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-yl-8-quinolinyl)phenyl]propanenitrile IUPAC Name: 3-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]propanenitrile Traditional Name: 2-[3-(6-isopropyl-8-quinolyl)phenyl]-3-(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)C(CC4=CC=C(C=C4)S(=O)(=O)C)C#N

Isomeric SMILES

CC(C)C1=CC(=C2C(=C1)C=CC=N2)C3=CC(=CC=C3)C(CC4=CC=C(C=C4)S(=O)(=O)C)C#N

InChI

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