2-[[4-(4-iodanylphenoxy)phenyl]sulfonylamino]-3-methyl-3-pyridin-2-ylsulfanyl-butanoic acid

Systemtic Name: 2-[[4-(4-iodanylphenoxy)phenyl]sulfonylamino]-3-methyl-3-pyridin-2-ylsulfanyl-butanoic acid Openeye Name: 2-[[4-(4-iodophenoxy)phenyl]sulfonylamino]-3-methyl-3-(2-pyridylsulfanyl)butanoic acid CAS Name: 2-[[4-(4-iodophenoxy)phenyl]sulfonylamino]-3-methyl-3-(2-pyridinylthio)butanoic acid IUPAC Name: 2-[[4-(4-iodophenoxy)phenyl]sulfonylamino]-3-methyl-3-pyridin-2-ylsulfanylbutanoic acid Traditional Name: 2-[[4-(4-iodophenoxy)phenyl]sulfonylamino]-3-methyl-3-(2-pyridylthio)butyric acid Formula: C22H21IN2O5S2 MolecularWeight: 584.44701

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)OC2=CC=C(C=C2)I)SC3=CC=CC=N3

Isomeric SMILES

CC(C)(C(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)OC2=CC=C(C=C2)I)SC3=CC=CC=N3

InChI

InChI=1S/C22H21IN2O5S2/c1-22(2,31-19-5-3-4-14-24-19)20(21(26)27)25-32(28,29)18-12-10-17(11-13-18)30-16-8-6-15(23)7-9-16/h3-14,20,25H,1-2H3,(H,26,27)