3-[[3-methyl-2-(4-propan-2-ylphenoxy)phenyl]sulfonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[[3-methyl-2-(4-propan-2-ylphenoxy)phenyl]sulfonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[2-(4-isopropylphenoxy)-3-methyl-phenyl]sulfonylamino]-4-oxo-butanoic acid CAS Name: 3-[[3-methyl-2-(4-propan-2-ylphenoxy)phenyl]sulfonylamino]-4-oxobutanoic acid IUPAC Name: 3-[[3-methyl-2-(4-propan-2-ylphenoxy)phenyl]sulfonylamino]-4-oxobutanoic acid Traditional Name: 3-[[2-(4-isopropylphenoxy)-3-methyl-phenyl]sulfonylamino]-4-keto-butyric acid Formula: C20H23NO6S MolecularWeight: 405.46472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)S(=O)(=O)NC(CC(=O)O)C=O)OC2=CC=C(C=C2)C(C)C

Isomeric SMILES

CC1=C(C(=CC=C1)S(=O)(=O)NC(CC(=O)O)C=O)OC2=CC=C(C=C2)C(C)C

InChI

InChI=1S/C20H23NO6S/c1-13(2)15-7-9-17(10-8-15)27-20-14(3)5-4-6-18(20)28(25,26)21-16(12-22)11-19(23)24/h4-10,12-13,16,21H,11H2,1-3H3,(H,23,24)