piperidin-1-yl 2-[butyl-(8-oxidanyl-5-piperidin-1-yloxy-quinolin-2-yl)amino]-8-oxidanyl-quinoline-5-sulfinate

Systemtic Name: piperidin-1-yl 2-[butyl-(8-oxidanyl-5-piperidin-1-yloxy-quinolin-2-yl)amino]-8-oxidanyl-quinoline-5-sulfinate Openeye Name: 1-piperidyl 2-[butyl-[8-hydroxy-5-(1-piperidyloxy)-2-quinolyl]amino]-8-hydroxy-quinoline-5-sulfinate CAS Name: 2-[butyl-[8-hydroxy-5-(1-piperidinyloxy)-2-quinolinyl]amino]-8-hydroxy-5-quinolinesulfinic acid 1-piperidinyl ester IUPAC Name: piperidin-1-yl 2-[butyl-(8-hydroxy-5-piperidin-1-yloxyquinolin-2-yl)amino]-8-hydroxyquinoline-5-sulfinate Traditional Name: 2-[butyl-(8-hydroxy-5-piperidinooxy-2-quinolyl)amino]-8-hydroxy-quinoline-5-sulfinic acid piperidino ester Formula: C32H39N5O5S MolecularWeight: 605.74756

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=NC2=C(C=CC(=C2C=C1)ON3CCCCC3)O)C4=NC5=C(C=CC(=C5C=C4)S(=O)ON6CCCCC6)O

Isomeric SMILES

CCCCN(C1=NC2=C(C=CC(=C2C=C1)ON3CCCCC3)O)C4=NC5=C(C=CC(=C5C=C4)S(=O)ON6CCCCC6)O

InChI

InChI=1S/C32H39N5O5S/c1-2-3-22-37(29-16-10-23-27(14-12-25(38)31(23)33-29)41-35-18-6-4-7-19-35)30-17-11-24-28(15-13-26(39)32(24)34-30)43(40)42-36-20-8-5-9-21-36/h10-17,38-39H,2-9,18-22H2,1H3