4-[[3-cyano-4-(furan-3-yl)-6-(4-morpholin-4-ylsulfonylphenyl)pyridin-2-yl]oxymethyl]benzoic acid

Systemtic Name: 4-[[3-cyano-4-(furan-3-yl)-6-(4-morpholin-4-ylsulfonylphenyl)pyridin-2-yl]oxymethyl]benzoic acid Openeye Name: 4-[[3-cyano-4-(3-furyl)-6-(4-morpholinosulfonylphenyl)-2-pyridyl]oxymethyl]benzoic acid CAS Name: 4-[[3-cyano-4-(3-furanyl)-6-[4-(4-morpholinylsulfonyl)phenyl]-2-pyridinyl]oxymethyl]benzoic acid IUPAC Name: 4-[[3-cyano-4-(furan-3-yl)-6-(4-morpholin-4-ylsulfonylphenyl)pyridin-2-yl]oxymethyl]benzoic acid Traditional Name: 4-[[3-cyano-4-(3-furyl)-6-(4-morpholinosulfonylphenyl)-2-pyridyl]oxymethyl]benzoic acid Formula: C28H23N3O7S MolecularWeight: 545.56312

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C3=NC(=C(C(=C3)C4=COC=C4)C#N)OCC5=CC=C(C=C5)C(=O)O

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C3=NC(=C(C(=C3)C4=COC=C4)C#N)OCC5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C28H23N3O7S/c29-16-25-24(22-9-12-37-18-22)15-26(30-27(25)38-17-19-1-3-21(4-2-19)28(32)33)20-5-7-23(8-6-20)39(34,35)31-10-13-36-14-11-31/h1-9,12,15,18H,10-11,13-14,17H2,(H,32,33)