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

Systemtic Name: 4-ethyl-2-(4-methylsulfonylphenyl)-1-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]-4-oxidanyl-hexan-3-one Openeye Name: 4-ethyl-4-hydroxy-1-[3-[6-(1-methyl-1-methylsulfonyl-ethyl)-8-quinolyl]phenyl]-2-(4-methylsulfonylphenyl)hexan-3-one CAS Name: 4-ethyl-4-hydroxy-2-(4-methylsulfonylphenyl)-1-[3-[6-(2-methylsulfonylpropan-2-yl)-8-quinolinyl]phenyl]-3-hexanone IUPAC Name: 4-ethyl-4-hydroxy-2-(4-methylsulfonylphenyl)-1-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]hexan-3-one Traditional Name: 4-ethyl-4-hydroxy-1-[3-[6-(1-mesyl-1-methyl-ethyl)-8-quinolyl]phenyl]-2-(4-mesylphenyl)hexan-3-one Formula: C34H39NO6S2 MolecularWeight: 621.80656

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C(=O)C(CC1=CC=CC(=C1)C2=C3C(=CC(=C2)C(C)(C)S(=O)(=O)C)C=CC=N3)C4=CC=C(C=C4)S(=O)(=O)C)O

Isomeric SMILES

CCC(CC)(C(=O)C(CC1=CC=CC(=C1)C2=C3C(=CC(=C2)C(C)(C)S(=O)(=O)C)C=CC=N3)C4=CC=C(C=C4)S(=O)(=O)C)O

InChI

InChI=1S/C34H39NO6S2/c1-7-34(37,8-2)32(36)30(24-14-16-28(17-15-24)42(5,38)39)20-23-11-9-12-25(19-23)29-22-27(33(3,4)43(6,40)41)21-26-13-10-18-35-31(26)29/h9-19,21-22,30,37H,7-8,20H2,1-6H3