1-[1-(5-fluoranylquinolin-8-yl)piperidin-4-yl]-4-(6-methoxyquinolin-8-yl)piperazine-2-sulfonic acid

Systemtic Name: 1-[1-(5-fluoranylquinolin-8-yl)piperidin-4-yl]-4-(6-methoxyquinolin-8-yl)piperazine-2-sulfonic acid Openeye Name: 1-[1-(5-fluoro-8-quinolyl)-4-piperidyl]-4-(6-methoxy-8-quinolyl)piperazine-2-sulfonic acid CAS Name: 1-[1-(5-fluoro-8-quinolinyl)-4-piperidinyl]-4-(6-methoxy-8-quinolinyl)-2-piperazinesulfonic acid IUPAC Name: 1-[1-(5-fluoroquinolin-8-yl)piperidin-4-yl]-4-(6-methoxyquinolin-8-yl)piperazine-2-sulfonic acid Traditional Name: 1-[1-(5-fluoro-8-quinolyl)-4-piperidyl]-4-(6-methoxy-8-quinolyl)piperazine-2-sulfonic acid Formula: C28H30FN5O4S MolecularWeight: 551.632303

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2C(=C1)C=CC=N2)N3CCN(C(C3)S(=O)(=O)O)C4CCN(CC4)C5=C6C(=C(C=C5)F)C=CC=N6

Isomeric SMILES

COC1=CC(=C2C(=C1)C=CC=N2)N3CCN(C(C3)S(=O)(=O)O)C4CCN(CC4)C5=C6C(=C(C=C5)F)C=CC=N6

InChI

InChI=1S/C28H30FN5O4S/c1-38-21-16-19-4-2-10-30-27(19)25(17-21)33-14-15-34(26(18-33)39(35,36)37)20-8-12-32(13-9-20)24-7-6-23(29)22-5-3-11-31-28(22)24/h2-7,10-11,16-17,20,26H,8-9,12-15,18H2,1H3,(H,35,36,37)