methyl 2-[2-[6-(4-phenylmethoxyphenyl)sulfinylpyridin-3-yl]ethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[6-(4-phenylmethoxyphenyl)sulfinylpyridin-3-yl]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[6-(4-benzyloxyphenyl)sulfinyl-3-pyridyl]acetyl]amino]benzoate CAS Name: 2-[[1-oxo-2-[6-(4-phenylmethoxyphenyl)sulfinyl-3-pyridinyl]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[6-(4-phenylmethoxyphenyl)sulfinylpyridin-3-yl]acetyl]amino]benzoate Traditional Name: 2-[[2-[6-(4-benzoxyphenyl)sulfinyl-3-pyridyl]acetyl]amino]benzoic acid methyl ester Formula: C28H24N2O5S MolecularWeight: 500.56556

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CC2=CN=C(C=C2)S(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CC2=CN=C(C=C2)S(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C28H24N2O5S/c1-34-28(32)24-9-5-6-10-25(24)30-26(31)17-21-11-16-27(29-18-21)36(33)23-14-12-22(13-15-23)35-19-20-7-3-2-4-8-20/h2-16,18H,17,19H2,1H3,(H,30,31)