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

Systemtic Name: 4-[8-(2-fluoranyl-4-sulfamoyl-phenyl)quinolin-4-yl]oxypiperidine-1-carboxylic acid Openeye Name: 4-[[8-(2-fluoro-4-sulfamoyl-phenyl)-4-quinolyl]oxy]piperidine-1-carboxylic acid CAS Name: 4-[[8-(2-fluoro-4-sulfamoylphenyl)-4-quinolinyl]oxy]-1-piperidinecarboxylic acid IUPAC Name: 4-[8-(2-fluoro-4-sulfamoylphenyl)quinolin-4-yl]oxypiperidine-1-carboxylic acid Traditional Name: 4-[[8-(2-fluoro-4-sulfamoyl-phenyl)-4-quinolyl]oxy]piperidine-1-carboxylic acid Formula: C21H20FN3O5S MolecularWeight: 445.464003

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20FN3O5S/c22-18-12-14(31(23,28)29)4-5-15(18)16-2-1-3-17-19(6-9-24-20(16)17)30-13-7-10-25(11-8-13)21(26)27/h1-6,9,12-13H,7-8,10-11H2,(H,26,27)(H2,23,28,29)