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

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

Isomeric SMILES

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

InChI

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