[(2S)-2-quinolin-4-yl-3-(triphenylmethyl)oxy-propyl] 4-methylbenzenesulfonate

Systemtic Name: [(2S)-2-quinolin-4-yl-3-(triphenylmethyl)oxy-propyl] 4-methylbenzenesulfonate Openeye Name: [(2S)-2-(4-quinolyl)-3-trityloxy-propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S)-2-(4-quinolinyl)-3-(triphenylmethyl)oxypropyl] ester IUPAC Name: [(2S)-2-quinolin-4-yl-3-trityloxypropyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S)-2-(4-quinolyl)-3-trityloxy-propyl] ester Formula: C38H33NO4S MolecularWeight: 599.73792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(COC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=NC6=CC=CC=C56

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@H](COC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=NC6=CC=CC=C56

InChI

InChI=1S/C38H33NO4S/c1-29-21-23-34(24-22-29)44(40,41)43-28-30(35-25-26-39-37-20-12-11-19-36(35)37)27-42-38(31-13-5-2-6-14-31,32-15-7-3-8-16-32)33-17-9-4-10-18-33/h2-26,30H,27-28H2,1H3/t30-/m0/s1