1-[4-[6-chloranyl-4-(2-fluorophenyl)quinolin-2-yl]phenyl]sulfonylpiperidine-4-carboxylic acid

Systemtic Name: 1-[4-[6-chloranyl-4-(2-fluorophenyl)quinolin-2-yl]phenyl]sulfonylpiperidine-4-carboxylic acid Openeye Name: 1-[4-[6-chloro-4-(2-fluorophenyl)-2-quinolyl]phenyl]sulfonylpiperidine-4-carboxylic acid CAS Name: 1-[4-[6-chloro-4-(2-fluorophenyl)-2-quinolinyl]phenyl]sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 1-[4-[6-chloro-4-(2-fluorophenyl)quinolin-2-yl]phenyl]sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-[4-[6-chloro-4-(2-fluorophenyl)-2-quinolyl]phenyl]sulfonylisonipecotic acid Formula: C27H22ClFN2O4S MolecularWeight: 524.990983

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)S(=O)(=O)C2=CC=C(C=C2)C3=NC4=C(C=C(C=C4)Cl)C(=C3)C5=CC=CC=C5F

Isomeric SMILES

C1CN(CCC1C(=O)O)S(=O)(=O)C2=CC=C(C=C2)C3=NC4=C(C=C(C=C4)Cl)C(=C3)C5=CC=CC=C5F

InChI

InChI=1S/C27H22ClFN2O4S/c28-19-7-10-25-23(15-19)22(21-3-1-2-4-24(21)29)16-26(30-25)17-5-8-20(9-6-17)36(34,35)31-13-11-18(12-14-31)27(32)33/h1-10,15-16,18H,11-14H2,(H,32,33)