methyl 4-[1-(2-phenethylphenoxy)-2-(phenylsulfonyl)ethyl]benzoate

Systemtic Name: methyl 4-[1-(2-phenethylphenoxy)-2-(phenylsulfonyl)ethyl]benzoate Openeye Name: methyl 4-[2-(benzenesulfonyl)-1-(2-phenethylphenoxy)ethyl]benzoate CAS Name: 4-[2-(benzenesulfonyl)-1-(2-phenethylphenoxy)ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(benzenesulfonyl)-1-(2-phenethylphenoxy)ethyl]benzoate Traditional Name: 4-[2-besyl-1-(2-phenethylphenoxy)ethyl]benzoic acid methyl ester Formula: C30H28O5S MolecularWeight: 500.60532

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(CS(=O)(=O)C2=CC=CC=C2)OC3=CC=CC=C3CCC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(CS(=O)(=O)C2=CC=CC=C2)OC3=CC=CC=C3CCC4=CC=CC=C4

InChI

InChI=1S/C30H28O5S/c1-34-30(31)26-20-18-25(19-21-26)29(22-36(32,33)27-13-6-3-7-14-27)35-28-15-9-8-12-24(28)17-16-23-10-4-2-5-11-23/h2-15,18-21,29H,16-17,22H2,1H3