[3-[2-(4-cyanophenyl)ethoxy]-5-methyl-phenyl] benzenesulfonate

Systemtic Name: [3-[2-(4-cyanophenyl)ethoxy]-5-methyl-phenyl] benzenesulfonate Openeye Name: [3-[2-(4-cyanophenyl)ethoxy]-5-methyl-phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [3-[2-(4-cyanophenyl)ethoxy]-5-methylphenyl] ester IUPAC Name: [3-[2-(4-cyanophenyl)ethoxy]-5-methylphenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [3-[2-(4-cyanophenyl)ethoxy]-5-methyl-phenyl] ester Formula: C22H19NO4S MolecularWeight: 393.45556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2)OCCC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2)OCCC3=CC=C(C=C3)C#N

InChI

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