8-[4-[1-(5-fluoranylquinolin-8-yl)piperidin-4-yl]piperazin-1-yl]-6-methoxy-quinoline-2-sulfonic acid

Systemtic Name: 8-[4-[1-(5-fluoranylquinolin-8-yl)piperidin-4-yl]piperazin-1-yl]-6-methoxy-quinoline-2-sulfonic acid Openeye Name: 8-[4-[1-(5-fluoro-8-quinolyl)-4-piperidyl]piperazin-1-yl]-6-methoxy-quinoline-2-sulfonic acid CAS Name: 8-[4-[1-(5-fluoro-8-quinolinyl)-4-piperidinyl]-1-piperazinyl]-6-methoxy-2-quinolinesulfonic acid IUPAC Name: 8-[4-[1-(5-fluoroquinolin-8-yl)piperidin-4-yl]piperazin-1-yl]-6-methoxyquinoline-2-sulfonic acid Traditional Name: 8-[4-[1-(5-fluoro-8-quinolyl)-4-piperidyl]piperazino]-6-methoxy-quinoline-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)S(=O)(=O)O)N3CCN(CC3)C4CCN(CC4)C5=C6C(=C(C=C5)F)C=CC=N6

Isomeric SMILES

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

InChI

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