2-[(2-acetamidophenoxy)methyl]-3-[4-(4-cyanophenyl)phenyl]sulfonyl-propanoic acid

Systemtic Name: 2-[(2-acetamidophenoxy)methyl]-3-[4-(4-cyanophenyl)phenyl]sulfonyl-propanoic acid Openeye Name: 2-[(2-acetamidophenoxy)methyl]-3-[4-(4-cyanophenyl)phenyl]sulfonyl-propanoic acid CAS Name: 2-[(2-acetamidophenoxy)methyl]-3-[4-(4-cyanophenyl)phenyl]sulfonylpropanoic acid IUPAC Name: 2-[(2-acetamidophenoxy)methyl]-3-[4-(4-cyanophenyl)phenyl]sulfonylpropanoic acid Traditional Name: 2-[(2-acetamidophenoxy)methyl]-3-[4-(4-cyanophenyl)phenyl]sulfonyl-propionic acid Formula: C25H22N2O6S MolecularWeight: 478.51698

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC=C1OCC(CS(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N)C(=O)O

Isomeric SMILES

CC(=O)NC1=CC=CC=C1OCC(CS(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N)C(=O)O

InChI

InChI=1S/C25H22N2O6S/c1-17(28)27-23-4-2-3-5-24(23)33-15-21(25(29)30)16-34(31,32)22-12-10-20(11-13-22)19-8-6-18(14-26)7-9-19/h2-13,21H,15-16H2,1H3,(H,27,28)(H,29,30)