4-[(1R)-2-(triphenylmethyl)-3,4-dihydro-1H-isoquinolin-1-yl]but-3-ynyl methanesulfonate

Systemtic Name: 4-[(1R)-2-(triphenylmethyl)-3,4-dihydro-1H-isoquinolin-1-yl]but-3-ynyl methanesulfonate Openeye Name: 4-[(1R)-2-trityl-3,4-dihydro-1H-isoquinolin-1-yl]but-3-ynyl methanesulfonate CAS Name: methanesulfonic acid 4-[(1R)-2-(triphenylmethyl)-3,4-dihydro-1H-isoquinolin-1-yl]but-3-ynyl ester IUPAC Name: 4-[(1R)-2-trityl-3,4-dihydro-1H-isoquinolin-1-yl]but-3-ynyl methanesulfonate Traditional Name: methanesulfonic acid 4-[(1R)-2-trityl-3,4-dihydro-1H-isoquinolin-1-yl]but-3-ynyl ester Formula: C33H31NO3S MolecularWeight: 521.66914

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCCC#CC1C2=CC=CC=C2CCN1C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CS(=O)(=O)OCCC#C[C@@H]1C2=CC=CC=C2CCN1C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C33H31NO3S/c1-38(35,36)37-26-14-13-23-32-31-22-12-11-15-27(31)24-25-34(32)33(28-16-5-2-6-17-28,29-18-7-3-8-19-29)30-20-9-4-10-21-30/h2-12,15-22,32H,14,24-26H2,1H3/t32-/m1/s1