[2-oxidanyl-4-(5-phenylmethoxyquinolin-6-yl)butyl] 4-methylbenzenesulfonate

Systemtic Name: [2-oxidanyl-4-(5-phenylmethoxyquinolin-6-yl)butyl] 4-methylbenzenesulfonate Openeye Name: [4-(5-benzyloxy-6-quinolyl)-2-hydroxy-butyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-hydroxy-4-(5-phenylmethoxy-6-quinolinyl)butyl] ester IUPAC Name: [2-hydroxy-4-(5-phenylmethoxyquinolin-6-yl)butyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-(5-benzoxy-6-quinolyl)-2-hydroxy-butyl] ester Formula: C27H27NO5S MolecularWeight: 477.57198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(CCC2=C(C3=C(C=C2)N=CC=C3)OCC4=CC=CC=C4)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(CCC2=C(C3=C(C=C2)N=CC=C3)OCC4=CC=CC=C4)O

InChI

InChI=1S/C27H27NO5S/c1-20-9-14-24(15-10-20)34(30,31)33-19-23(29)13-11-22-12-16-26-25(8-5-17-28-26)27(22)32-18-21-6-3-2-4-7-21/h2-10,12,14-17,23,29H,11,13,18-19H2,1H3