[5-(cyanomethyl)-2-phenylmethoxy-phenyl] 4-methylbenzenesulfonate

Systemtic Name: [5-(cyanomethyl)-2-phenylmethoxy-phenyl] 4-methylbenzenesulfonate Openeye Name: [2-benzyloxy-5-(cyanomethyl)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [5-(cyanomethyl)-2-phenylmethoxyphenyl] ester IUPAC Name: [5-(cyanomethyl)-2-phenylmethoxyphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-benzoxy-5-(cyanomethyl)phenyl] ester Formula: C22H19NO4S MolecularWeight: 393.45556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC(=C2)CC#N)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC(=C2)CC#N)OCC3=CC=CC=C3

InChI

InChI=1S/C22H19NO4S/c1-17-7-10-20(11-8-17)28(24,25)27-22-15-18(13-14-23)9-12-21(22)26-16-19-5-3-2-4-6-19/h2-12,15H,13,16H2,1H3