methyl 2-[[4-[2-(4-methylsulfonylphenyl)ethoxy]phenyl]methyl]butanoate

Systemtic Name: methyl 2-[[4-[2-(4-methylsulfonylphenyl)ethoxy]phenyl]methyl]butanoate Openeye Name: methyl 2-[[4-[2-(4-methylsulfonylphenyl)ethoxy]phenyl]methyl]butanoate CAS Name: 2-[[4-[2-(4-methylsulfonylphenyl)ethoxy]phenyl]methyl]butanoic acid methyl ester IUPAC Name: methyl 2-[[4-[2-(4-methylsulfonylphenyl)ethoxy]phenyl]methyl]butanoate Traditional Name: 2-[4-[2-(4-mesylphenyl)ethoxy]benzyl]butyric acid methyl ester Formula: C21H26O5S MolecularWeight: 390.49314

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=C(C=C1)OCCC2=CC=C(C=C2)S(=O)(=O)C)C(=O)OC

Isomeric SMILES

CCC(CC1=CC=C(C=C1)OCCC2=CC=C(C=C2)S(=O)(=O)C)C(=O)OC

InChI

InChI=1S/C21H26O5S/c1-4-18(21(22)25-2)15-17-5-9-19(10-6-17)26-14-13-16-7-11-20(12-8-16)27(3,23)24/h5-12,18H,4,13-15H2,1-3H3