8-[4-[1-(5-fluoranylquinolin-8-yl)piperidin-4-yl]piperazin-1-yl]-6-methoxy-quinoline-7-sulfonic acid

Systemtic Name: 8-[4-[1-(5-fluoranylquinolin-8-yl)piperidin-4-yl]piperazin-1-yl]-6-methoxy-quinoline-7-sulfonic acid Openeye Name: 8-[4-[1-(5-fluoro-8-quinolyl)-4-piperidyl]piperazin-1-yl]-6-methoxy-quinoline-7-sulfonic acid CAS Name: 8-[4-[1-(5-fluoro-8-quinolinyl)-4-piperidinyl]-1-piperazinyl]-6-methoxy-7-quinolinesulfonic acid IUPAC Name: 8-[4-[1-(5-fluoroquinolin-8-yl)piperidin-4-yl]piperazin-1-yl]-6-methoxyquinoline-7-sulfonic acid Traditional Name: 8-[4-[1-(5-fluoro-8-quinolyl)-4-piperidyl]piperazino]-6-methoxy-quinoline-7-sulfonic acid Formula: C28H30FN5O4S MolecularWeight: 551.632303

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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