6-(azepan-1-ylsulfonyl)-2-(4-fluorophenyl)quinoline-4-carboxylic acid

Systemtic Name: 6-(azepan-1-ylsulfonyl)-2-(4-fluorophenyl)quinoline-4-carboxylic acid Openeye Name: 6-(azepan-1-ylsulfonyl)-2-(4-fluorophenyl)quinoline-4-carboxylic acid CAS Name: 6-(1-azepanylsulfonyl)-2-(4-fluorophenyl)-4-quinolinecarboxylic acid IUPAC Name: 6-(azepan-1-ylsulfonyl)-2-(4-fluorophenyl)quinoline-4-carboxylic acid Traditional Name: 6-(azepan-1-ylsulfonyl)-2-(4-fluorophenyl)cinchoninic acid Formula: C22H21FN2O4S MolecularWeight: 428.476543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3C(=O)O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3C(=O)O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H21FN2O4S/c23-16-7-5-15(6-8-16)21-14-19(22(26)27)18-13-17(9-10-20(18)24-21)30(28,29)25-11-3-1-2-4-12-25/h5-10,13-14H,1-4,11-12H2,(H,26,27)