4-[8-[2,5-bis(fluoranyl)-4-sulfamoyl-phenyl]quinolin-4-yl]oxypiperidine-1-carboxylic acid

Systemtic Name: 4-[8-[2,5-bis(fluoranyl)-4-sulfamoyl-phenyl]quinolin-4-yl]oxypiperidine-1-carboxylic acid Openeye Name: 4-[[8-(2,5-difluoro-4-sulfamoyl-phenyl)-4-quinolyl]oxy]piperidine-1-carboxylic acid CAS Name: 4-[[8-(2,5-difluoro-4-sulfamoylphenyl)-4-quinolinyl]oxy]-1-piperidinecarboxylic acid IUPAC Name: 4-[8-(2,5-difluoro-4-sulfamoylphenyl)quinolin-4-yl]oxypiperidine-1-carboxylic acid Traditional Name: 4-[[8-(2,5-difluoro-4-sulfamoyl-phenyl)-4-quinolyl]oxy]piperidine-1-carboxylic acid Formula: C21H19F2N3O5S MolecularWeight: 463.454466

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC2=C3C=CC=C(C3=NC=C2)C4=CC(=C(C=C4F)S(=O)(=O)N)F)C(=O)O

Isomeric SMILES

C1CN(CCC1OC2=C3C=CC=C(C3=NC=C2)C4=CC(=C(C=C4F)S(=O)(=O)N)F)C(=O)O

InChI

InChI=1S/C21H19F2N3O5S/c22-16-11-19(32(24,29)30)17(23)10-15(16)13-2-1-3-14-18(4-7-25-20(13)14)31-12-5-8-26(9-6-12)21(27)28/h1-4,7,10-12H,5-6,8-9H2,(H,27,28)(H2,24,29,30)