[(3R,4R)-2-ethyl-1-oxidanylidene-3-phenyl-3,4-dihydroisoquinolin-4-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [(3R,4R)-2-ethyl-1-oxidanylidene-3-phenyl-3,4-dihydroisoquinolin-4-yl]methyl 4-methylbenzenesulfonate Openeye Name: [(3R,4R)-2-ethyl-1-oxo-3-phenyl-3,4-dihydroisoquinolin-4-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(3R,4R)-2-ethyl-1-oxo-3-phenyl-3,4-dihydroisoquinolin-4-yl]methyl ester IUPAC Name: [(3R,4R)-2-ethyl-1-oxo-3-phenyl-3,4-dihydroisoquinolin-4-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(3R,4R)-2-ethyl-1-keto-3-phenyl-3,4-dihydroisoquinolin-4-yl]methyl ester Formula: C25H25NO4S MolecularWeight: 435.5353

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(C(C2=CC=CC=C2C1=O)COS(=O)(=O)C3=CC=C(C=C3)C)C4=CC=CC=C4

Isomeric SMILES

CCN1[C@H]([C@@H](C2=CC=CC=C2C1=O)COS(=O)(=O)C3=CC=C(C=C3)C)C4=CC=CC=C4

InChI

InChI=1S/C25H25NO4S/c1-3-26-24(19-9-5-4-6-10-19)23(21-11-7-8-12-22(21)25(26)27)17-30-31(28,29)20-15-13-18(2)14-16-20/h4-16,23-24H,3,17H2,1-2H3/t23-,24+/m1/s1