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

Systemtic Name: 2-(4-methylsulfonylphenyl)-2-phenyl-3-(6-propan-2-ylquinolin-8-yl)propanenitrile Openeye Name: 3-(6-isopropyl-8-quinolyl)-2-(4-methylsulfonylphenyl)-2-phenyl-propanenitrile CAS Name: 2-(4-methylsulfonylphenyl)-2-phenyl-3-(6-propan-2-yl-8-quinolinyl)propanenitrile IUPAC Name: 2-(4-methylsulfonylphenyl)-2-phenyl-3-(6-propan-2-ylquinolin-8-yl)propanenitrile Traditional Name: 3-(6-isopropyl-8-quinolyl)-2-(4-mesylphenyl)-2-phenyl-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)CC(C#N)(C3=CC=CC=C3)C4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

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

InChI

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