[(3R,4R)-2-ethyl-3-phenyl-3,4-dihydro-1H-isoquinolin-4-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [(3R,4R)-2-ethyl-3-phenyl-3,4-dihydro-1H-isoquinolin-4-yl]methyl 4-methylbenzenesulfonate Openeye Name: [(3R,4R)-2-ethyl-3-phenyl-3,4-dihydro-1H-isoquinolin-4-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(3R,4R)-2-ethyl-3-phenyl-3,4-dihydro-1H-isoquinolin-4-yl]methyl ester IUPAC Name: [(3R,4R)-2-ethyl-3-phenyl-3,4-dihydro-1H-isoquinolin-4-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(3R,4R)-2-ethyl-3-phenyl-3,4-dihydro-1H-isoquinolin-4-yl]methyl ester Formula: C25H27NO3S MolecularWeight: 421.55178

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC2=CC=CC=C2C(C1C3=CC=CC=C3)COS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCN1CC2=CC=CC=C2[C@H]([C@@H]1C3=CC=CC=C3)COS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C25H27NO3S/c1-3-26-17-21-11-7-8-12-23(21)24(25(26)20-9-5-4-6-10-20)18-29-30(27,28)22-15-13-19(2)14-16-22/h4-16,24-25H,3,17-18H2,1-2H3/t24-,25+/m1/s1