2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]-1-phenyl-propan-1-one

Systemtic Name: 2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]-1-phenyl-propan-1-one Openeye Name: 3-[3-[6-(1-methyl-1-methylsulfonyl-ethyl)-8-quinolyl]phenyl]-2-(4-methylsulfonylphenyl)-1-phenyl-propan-1-one CAS Name: 2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)-8-quinolinyl]phenyl]-1-phenyl-1-propanone IUPAC Name: 2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]-1-phenylpropan-1-one Traditional Name: 3-[3-[6-(1-mesyl-1-methyl-ethyl)-8-quinolyl]phenyl]-2-(4-mesylphenyl)-1-phenyl-propan-1-one Formula: C35H33NO5S2 MolecularWeight: 611.77022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H33NO5S2/c1-35(2,43(4,40)41)29-22-28-14-9-19-36-33(28)31(23-29)27-13-8-10-24(20-27)21-32(34(37)26-11-6-5-7-12-26)25-15-17-30(18-16-25)42(3,38)39/h5-20,22-23,32H,21H2,1-4H3