2-[2-[6-(4-phenylmethoxyphenyl)sulfinylpyridin-3-yl]ethanoylamino]benzoic acid

Systemtic Name: 2-[2-[6-(4-phenylmethoxyphenyl)sulfinylpyridin-3-yl]ethanoylamino]benzoic acid Openeye Name: 2-[[2-[6-(4-benzyloxyphenyl)sulfinyl-3-pyridyl]acetyl]amino]benzoic acid CAS Name: 2-[[1-oxo-2-[6-(4-phenylmethoxyphenyl)sulfinyl-3-pyridinyl]ethyl]amino]benzoic acid IUPAC Name: 2-[[2-[6-(4-phenylmethoxyphenyl)sulfinylpyridin-3-yl]acetyl]amino]benzoic acid Traditional Name: 2-[[2-[6-(4-benzoxyphenyl)sulfinyl-3-pyridyl]acetyl]amino]benzoic acid Formula: C27H22N2O5S MolecularWeight: 486.53898

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)S(=O)C3=NC=C(C=C3)CC(=O)NC4=CC=CC=C4C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)S(=O)C3=NC=C(C=C3)CC(=O)NC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C27H22N2O5S/c30-25(29-24-9-5-4-8-23(24)27(31)32)16-20-10-15-26(28-17-20)35(33)22-13-11-21(12-14-22)34-18-19-6-2-1-3-7-19/h1-15,17H,16,18H2,(H,29,30)(H,31,32)