methyl 3-methylsulfonyl-4-[2-[1-(phenylmethyl)imidazol-2-yl]phenoxy]benzoate

Systemtic Name: methyl 3-methylsulfonyl-4-[2-[1-(phenylmethyl)imidazol-2-yl]phenoxy]benzoate Openeye Name: methyl 4-[2-(1-benzylimidazol-2-yl)phenoxy]-3-methylsulfonyl-benzoate CAS Name: 3-methylsulfonyl-4-[2-[1-(phenylmethyl)-2-imidazolyl]phenoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(1-benzylimidazol-2-yl)phenoxy]-3-methylsulfonylbenzoate Traditional Name: 4-[2-(1-benzylimidazol-2-yl)phenoxy]-3-mesyl-benzoic acid methyl ester Formula: C25H22N2O5S MolecularWeight: 462.51758

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)OC2=CC=CC=C2C3=NC=CN3CC4=CC=CC=C4)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)OC2=CC=CC=C2C3=NC=CN3CC4=CC=CC=C4)S(=O)(=O)C

InChI

InChI=1S/C25H22N2O5S/c1-31-25(28)19-12-13-22(23(16-19)33(2,29)30)32-21-11-7-6-10-20(21)24-26-14-15-27(24)17-18-8-4-3-5-9-18/h3-16H,17H2,1-2H3