2-(2-fluoranylphenoxy)-3-methyl-4-[(4-methylphenyl)sulfonylamino]butanoic acid

Systemtic Name: 2-(2-fluoranylphenoxy)-3-methyl-4-[(4-methylphenyl)sulfonylamino]butanoic acid Openeye Name: 2-(2-fluorophenoxy)-3-methyl-4-(p-tolylsulfonylamino)butanoic acid CAS Name: 2-(2-fluorophenoxy)-3-methyl-4-[(4-methylphenyl)sulfonylamino]butanoic acid IUPAC Name: 2-(2-fluorophenoxy)-3-methyl-4-[(4-methylphenyl)sulfonylamino]butanoic acid Traditional Name: 2-(2-fluorophenoxy)-3-methyl-4-(tosylamino)butyric acid Formula: C18H20FNO5S MolecularWeight: 381.418503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCC(C)C(C(=O)O)OC2=CC=CC=C2F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCC(C)C(C(=O)O)OC2=CC=CC=C2F

InChI

InChI=1S/C18H20FNO5S/c1-12-7-9-14(10-8-12)26(23,24)20-11-13(2)17(18(21)22)25-16-6-4-3-5-15(16)19/h3-10,13,17,20H,11H2,1-2H3,(H,21,22)