8-[4-[1-(5-fluoranylquinolin-8-yl)piperidin-4-yl]piperazin-1-yl]-6-methoxy-quinoline-3-sulfonic acid

Systemtic Name: 8-[4-[1-(5-fluoranylquinolin-8-yl)piperidin-4-yl]piperazin-1-yl]-6-methoxy-quinoline-3-sulfonic acid Openeye Name: 8-[4-[1-(5-fluoro-8-quinolyl)-4-piperidyl]piperazin-1-yl]-6-methoxy-quinoline-3-sulfonic acid CAS Name: 8-[4-[1-(5-fluoro-8-quinolinyl)-4-piperidinyl]-1-piperazinyl]-6-methoxy-3-quinolinesulfonic acid IUPAC Name: 8-[4-[1-(5-fluoroquinolin-8-yl)piperidin-4-yl]piperazin-1-yl]-6-methoxyquinoline-3-sulfonic acid Traditional Name: 8-[4-[1-(5-fluoro-8-quinolyl)-4-piperidyl]piperazino]-6-methoxy-quinoline-3-sulfonic acid Formula: C28H30FN5O4S MolecularWeight: 551.632303

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2C(=C1)C=C(C=N2)S(=O)(=O)O)N3CCN(CC3)C4CCN(CC4)C5=C6C(=C(C=C5)F)C=CC=N6

Isomeric SMILES

COC1=CC(=C2C(=C1)C=C(C=N2)S(=O)(=O)O)N3CCN(CC3)C4CCN(CC4)C5=C6C(=C(C=C5)F)C=CC=N6

InChI

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