3-[(8-fluoranyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-4-methoxy-benzoic acid

Systemtic Name: 3-[(8-fluoranyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-4-methoxy-benzoic acid Openeye Name: 3-[(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-4-methoxy-benzoic acid CAS Name: 3-[(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-4-methoxybenzoic acid IUPAC Name: 3-[(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-4-methoxybenzoic acid Traditional Name: 3-[(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-4-methoxy-benzoic acid Formula: C17H16FNO5S MolecularWeight: 365.376043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N2CCCC3=C2C(=CC=C3)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N2CCCC3=C2C(=CC=C3)F

InChI

InChI=1S/C17H16FNO5S/c1-24-14-8-7-12(17(20)21)10-15(14)25(22,23)19-9-3-5-11-4-2-6-13(18)16(11)19/h2,4,6-8,10H,3,5,9H2,1H3,(H,20,21)