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

Systemtic Name: 2-[(2-acetamidophenoxy)methyl]-3-[4-(4-chlorophenyl)phenyl]sulfonyl-propanoic acid Openeye Name: 2-[(2-acetamidophenoxy)methyl]-3-[4-(4-chlorophenyl)phenyl]sulfonyl-propanoic acid CAS Name: 2-[(2-acetamidophenoxy)methyl]-3-[4-(4-chlorophenyl)phenyl]sulfonylpropanoic acid IUPAC Name: 2-[(2-acetamidophenoxy)methyl]-3-[4-(4-chlorophenyl)phenyl]sulfonylpropanoic acid Traditional Name: 2-[(2-acetamidophenoxy)methyl]-3-[4-(4-chlorophenyl)phenyl]sulfonyl-propionic acid Formula: C24H22ClNO6S MolecularWeight: 487.95258

Click to see the large picture

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)Cl)C(=O)O

Isomeric SMILES

CC(=O)NC1=CC=CC=C1OCC(CS(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C24H22ClNO6S/c1-16(27)26-22-4-2-3-5-23(22)32-14-19(24(28)29)15-33(30,31)21-12-8-18(9-13-21)17-6-10-20(25)11-7-17/h2-13,19H,14-15H2,1H3,(H,26,27)(H,28,29)