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

Systemtic Name: [3-[2-(4-cyanophenyl)ethoxy]-5-ethyl-phenyl] 2-methoxy-5-methyl-benzenesulfonate Openeye Name: [3-[2-(4-cyanophenyl)ethoxy]-5-ethyl-phenyl] 2-methoxy-5-methyl-benzenesulfonate CAS Name: 2-methoxy-5-methylbenzenesulfonic acid [3-[2-(4-cyanophenyl)ethoxy]-5-ethylphenyl] ester IUPAC Name: [3-[2-(4-cyanophenyl)ethoxy]-5-ethylphenyl] 2-methoxy-5-methylbenzenesulfonate Traditional Name: 2-methoxy-5-methyl-benzenesulfonic acid [3-[2-(4-cyanophenyl)ethoxy]-5-ethyl-phenyl] ester Formula: C25H25NO5S MolecularWeight: 451.5347

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1)OS(=O)(=O)C2=C(C=CC(=C2)C)OC)OCCC3=CC=C(C=C3)C#N

Isomeric SMILES

CCC1=CC(=CC(=C1)OS(=O)(=O)C2=C(C=CC(=C2)C)OC)OCCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C25H25NO5S/c1-4-19-14-22(30-12-11-20-6-8-21(17-26)9-7-20)16-23(15-19)31-32(27,28)25-13-18(2)5-10-24(25)29-3/h5-10,13-16H,4,11-12H2,1-3H3