7,8-dicyclohexyl-2-(4-methylsulfonylphenyl)quinoline-4-carboxylic acid

Systemtic Name: 7,8-dicyclohexyl-2-(4-methylsulfonylphenyl)quinoline-4-carboxylic acid Openeye Name: 7,8-dicyclohexyl-2-(4-methylsulfonylphenyl)quinoline-4-carboxylic acid CAS Name: 7,8-dicyclohexyl-2-(4-methylsulfonylphenyl)-4-quinolinecarboxylic acid IUPAC Name: 7,8-dicyclohexyl-2-(4-methylsulfonylphenyl)quinoline-4-carboxylic acid Traditional Name: 7,8-dicyclohexyl-2-(4-mesylphenyl)cinchoninic acid Formula: C29H33NO4S MolecularWeight: 491.64162

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=NC3=C(C=CC(=C3C4CCCCC4)C5CCCCC5)C(=C2)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=NC3=C(C=CC(=C3C4CCCCC4)C5CCCCC5)C(=C2)C(=O)O

InChI

InChI=1S/C29H33NO4S/c1-35(33,34)22-14-12-20(13-15-22)26-18-25(29(31)32)24-17-16-23(19-8-4-2-5-9-19)27(28(24)30-26)21-10-6-3-7-11-21/h12-19,21H,2-11H2,1H3,(H,31,32)