methyl 6-[4-(4-cyanophenyl)-2-methylsulfonyl-phenoxy]hexanoate

Systemtic Name: methyl 6-[4-(4-cyanophenyl)-2-methylsulfonyl-phenoxy]hexanoate Openeye Name: methyl 6-[4-(4-cyanophenyl)-2-methylsulfonyl-phenoxy]hexanoate CAS Name: 6-[4-(4-cyanophenyl)-2-methylsulfonylphenoxy]hexanoic acid methyl ester IUPAC Name: methyl 6-[4-(4-cyanophenyl)-2-methylsulfonylphenoxy]hexanoate Traditional Name: 6-[4-(4-cyanophenyl)-2-mesyl-phenoxy]hexanoic acid methyl ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)C#N)S(=O)(=O)C

Isomeric SMILES

COC(=O)CCCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)C#N)S(=O)(=O)C

InChI

InChI=1S/C21H23NO5S/c1-26-21(23)6-4-3-5-13-27-19-12-11-18(14-20(19)28(2,24)25)17-9-7-16(15-22)8-10-17/h7-12,14H,3-6,13H2,1-2H3