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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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