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

Systemtic Name: 1-(4-methylsulfonylphenyl)-2-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]cyclopropane-1-carboxylic acid Openeye Name: 2-[3-[6-(1-methyl-1-methylsulfonyl-ethyl)-8-quinolyl]phenyl]-1-(4-methylsulfonylphenyl)cyclopropanecarboxylic acid CAS Name: 1-(4-methylsulfonylphenyl)-2-[3-[6-(2-methylsulfonylpropan-2-yl)-8-quinolinyl]phenyl]-1-cyclopropanecarboxylic acid IUPAC Name: 1-(4-methylsulfonylphenyl)-2-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]cyclopropane-1-carboxylic acid Traditional Name: 2-[3-[6-(1-mesyl-1-methyl-ethyl)-8-quinolyl]phenyl]-1-(4-mesylphenyl)cyclopropanecarboxylic acid Formula: C30H29NO6S2 MolecularWeight: 563.68436

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC(=C2C(=C1)C=CC=N2)C3=CC(=CC=C3)C4CC4(C5=CC=C(C=C5)S(=O)(=O)C)C(=O)O)S(=O)(=O)C

Isomeric SMILES

CC(C)(C1=CC(=C2C(=C1)C=CC=N2)C3=CC(=CC=C3)C4CC4(C5=CC=C(C=C5)S(=O)(=O)C)C(=O)O)S(=O)(=O)C

InChI

InChI=1S/C30H29NO6S2/c1-29(2,39(4,36)37)23-16-21-9-6-14-31-27(21)25(17-23)19-7-5-8-20(15-19)26-18-30(26,28(32)33)22-10-12-24(13-11-22)38(3,34)35/h5-17,26H,18H2,1-4H3,(H,32,33)