methyl 4-[[4-[2-cyano-2-(4-methylphenyl)sulfonyl-ethenyl]phenoxy]methyl]benzoate

Systemtic Name: methyl 4-[[4-[2-cyano-2-(4-methylphenyl)sulfonyl-ethenyl]phenoxy]methyl]benzoate Openeye Name: methyl 4-[[4-[2-cyano-2-(p-tolylsulfonyl)vinyl]phenoxy]methyl]benzoate CAS Name: 4-[[4-[2-cyano-2-(4-methylphenyl)sulfonylethenyl]phenoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[2-cyano-2-(4-methylphenyl)sulfonylethenyl]phenoxy]methyl]benzoate Traditional Name: 4-[[4-(2-cyano-2-tosyl-vinyl)phenoxy]methyl]benzoic acid methyl ester Formula: C25H21NO5S MolecularWeight: 447.50294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(=CC2=CC=C(C=C2)OCC3=CC=C(C=C3)C(=O)OC)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(=CC2=CC=C(C=C2)OCC3=CC=C(C=C3)C(=O)OC)C#N

InChI

InChI=1S/C25H21NO5S/c1-18-3-13-23(14-4-18)32(28,29)24(16-26)15-19-7-11-22(12-8-19)31-17-20-5-9-21(10-6-20)25(27)30-2/h3-15H,17H2,1-2H3