3-[(5-cyano-2-methoxy-phenyl)sulfonylamino]-2-(3-propan-2-ylphenoxy)butanoic acid

Systemtic Name: 3-[(5-cyano-2-methoxy-phenyl)sulfonylamino]-2-(3-propan-2-ylphenoxy)butanoic acid Openeye Name: 3-[(5-cyano-2-methoxy-phenyl)sulfonylamino]-2-(3-isopropylphenoxy)butanoic acid CAS Name: 3-[(5-cyano-2-methoxyphenyl)sulfonylamino]-2-(3-propan-2-ylphenoxy)butanoic acid IUPAC Name: 3-[(5-cyano-2-methoxyphenyl)sulfonylamino]-2-(3-propan-2-ylphenoxy)butanoic acid Traditional Name: 3-[(5-cyano-2-methoxy-phenyl)sulfonylamino]-2-(3-isopropylphenoxy)butyric acid Formula: C21H24N2O6S MolecularWeight: 432.49006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC=C1)OC(C(C)NS(=O)(=O)C2=C(C=CC(=C2)C#N)OC)C(=O)O

Isomeric SMILES

CC(C)C1=CC(=CC=C1)OC(C(C)NS(=O)(=O)C2=C(C=CC(=C2)C#N)OC)C(=O)O

InChI

InChI=1S/C21H24N2O6S/c1-13(2)16-6-5-7-17(11-16)29-20(21(24)25)14(3)23-30(26,27)19-10-15(12-22)8-9-18(19)28-4/h5-11,13-14,20,23H,1-4H3,(H,24,25)