1-(2-fluoranyl-5-morpholin-4-ylsulfonyl-phenyl)carbonyl-3,4-dihydro-2H-quinoline-5-carboxylic acid

Systemtic Name: 1-(2-fluoranyl-5-morpholin-4-ylsulfonyl-phenyl)carbonyl-3,4-dihydro-2H-quinoline-5-carboxylic acid Openeye Name: 1-(2-fluoro-5-morpholinosulfonyl-benzoyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid CAS Name: 1-[[2-fluoro-5-(4-morpholinylsulfonyl)phenyl]-oxomethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid IUPAC Name: 1-(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid Traditional Name: 1-(2-fluoro-5-morpholinosulfonyl-benzoyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid Formula: C21H21FN2O6S MolecularWeight: 448.464643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC=C2N(C1)C(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)F)C(=O)O

Isomeric SMILES

C1CC2=C(C=CC=C2N(C1)C(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)F)C(=O)O

InChI

InChI=1S/C21H21FN2O6S/c22-18-7-6-14(31(28,29)23-9-11-30-12-10-23)13-17(18)20(25)24-8-2-4-15-16(21(26)27)3-1-5-19(15)24/h1,3,5-7,13H,2,4,8-12H2,(H,26,27)