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

Systemtic Name: N-[[3-[6-(2-cyanopropan-2-yl)quinolin-8-yl]phenyl]methyl]-N-(4-methylsulfonylphenyl)benzamide Openeye Name: N-[[3-[6-(1-cyano-1-methyl-ethyl)-8-quinolyl]phenyl]methyl]-N-(4-methylsulfonylphenyl)benzamide CAS Name: N-[[3-[6-(2-cyanopropan-2-yl)-8-quinolinyl]phenyl]methyl]-N-(4-methylsulfonylphenyl)benzamide IUPAC Name: N-[[3-[6-(2-cyanopropan-2-yl)quinolin-8-yl]phenyl]methyl]-N-(4-methylsulfonylphenyl)benzamide Traditional Name: N-[3-[6-(1-cyano-1-methyl-ethyl)-8-quinolyl]benzyl]-N-(4-mesylphenyl)benzamide Formula: C34H29N3O3S MolecularWeight: 559.67736

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#N)C1=CC(=C2C(=C1)C=CC=N2)C3=CC(=CC=C3)CN(C4=CC=C(C=C4)S(=O)(=O)C)C(=O)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C#N)C1=CC(=C2C(=C1)C=CC=N2)C3=CC(=CC=C3)CN(C4=CC=C(C=C4)S(=O)(=O)C)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C34H29N3O3S/c1-34(2,23-35)28-20-27-13-8-18-36-32(27)31(21-28)26-12-7-9-24(19-26)22-37(33(38)25-10-5-4-6-11-25)29-14-16-30(17-15-29)41(3,39)40/h4-21H,22H2,1-3H3