2-(3-methyl-4-methylsulfanyl-phenoxy)-3-(phenylsulfonylamino)propanoic acid

Systemtic Name: 2-(3-methyl-4-methylsulfanyl-phenoxy)-3-(phenylsulfonylamino)propanoic acid Openeye Name: 3-(benzenesulfonamido)-2-(3-methyl-4-methylsulfanyl-phenoxy)propanoic acid CAS Name: 3-(benzenesulfonamido)-2-[3-methyl-4-(methylthio)phenoxy]propanoic acid IUPAC Name: 3-(benzenesulfonamido)-2-(3-methyl-4-methylsulfanylphenoxy)propanoic acid Traditional Name: 3-(benzenesulfonamido)-2-[3-methyl-4-(methylthio)phenoxy]propionic acid Formula: C17H19NO5S2 MolecularWeight: 381.46646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC(CNS(=O)(=O)C2=CC=CC=C2)C(=O)O)SC

Isomeric SMILES

CC1=C(C=CC(=C1)OC(CNS(=O)(=O)C2=CC=CC=C2)C(=O)O)SC

InChI

InChI=1S/C17H19NO5S2/c1-12-10-13(8-9-16(12)24-2)23-15(17(19)20)11-18-25(21,22)14-6-4-3-5-7-14/h3-10,15,18H,11H2,1-2H3,(H,19,20)