3-[3-[6-(2-cyanopropan-2-yl)quinolin-8-yl]phenyl]-2-(4-methylsulfonylphenyl)-N-propan-2-yl-propanamide

Systemtic Name: 3-[3-[6-(2-cyanopropan-2-yl)quinolin-8-yl]phenyl]-2-(4-methylsulfonylphenyl)-N-propan-2-yl-propanamide Openeye Name: 3-[3-[6-(1-cyano-1-methyl-ethyl)-8-quinolyl]phenyl]-N-isopropyl-2-(4-methylsulfonylphenyl)propanamide CAS Name: 3-[3-[6-(2-cyanopropan-2-yl)-8-quinolinyl]phenyl]-2-(4-methylsulfonylphenyl)-N-propan-2-ylpropanamide IUPAC Name: 3-[3-[6-(2-cyanopropan-2-yl)quinolin-8-yl]phenyl]-2-(4-methylsulfonylphenyl)-N-propan-2-ylpropanamide Traditional Name: 3-[3-[6-(1-cyano-1-methyl-ethyl)-8-quinolyl]phenyl]-N-isopropyl-2-(4-mesylphenyl)propionamide Formula: C32H33N3O3S MolecularWeight: 539.68772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C(CC1=CC=CC(=C1)C2=C3C(=CC(=C2)C(C)(C)C#N)C=CC=N3)C4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CC(C)NC(=O)C(CC1=CC=CC(=C1)C2=C3C(=CC(=C2)C(C)(C)C#N)C=CC=N3)C4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C32H33N3O3S/c1-21(2)35-31(36)29(23-11-13-27(14-12-23)39(5,37)38)17-22-8-6-9-24(16-22)28-19-26(32(3,4)20-33)18-25-10-7-15-34-30(25)28/h6-16,18-19,21,29H,17H2,1-5H3,(H,35,36)