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

Systemtic Name: 1-(4-methylsulfonylphenyl)-2-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]ethanesulfonic acid Openeye Name: 2-[3-[6-(1-methyl-1-methylsulfonyl-ethyl)-8-quinolyl]phenyl]-1-(4-methylsulfonylphenyl)ethanesulfonic acid CAS Name: 1-(4-methylsulfonylphenyl)-2-[3-[6-(2-methylsulfonylpropan-2-yl)-8-quinolinyl]phenyl]ethanesulfonic acid IUPAC Name: 1-(4-methylsulfonylphenyl)-2-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]ethanesulfonic acid Traditional Name: 2-[3-[6-(1-mesyl-1-methyl-ethyl)-8-quinolyl]phenyl]-1-(4-mesylphenyl)ethanesulfonic acid Formula: C28H29NO7S3 MolecularWeight: 587.72736

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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)S(=O)(=O)O)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)S(=O)(=O)O)S(=O)(=O)C

InChI

InChI=1S/C28H29NO7S3/c1-28(2,38(4,32)33)23-17-22-9-6-14-29-27(22)25(18-23)21-8-5-7-19(15-21)16-26(39(34,35)36)20-10-12-24(13-11-20)37(3,30)31/h5-15,17-18,26H,16H2,1-4H3,(H,34,35,36)