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

Systemtic Name: 3-[[2-(3-methyl-4-propan-2-yl-phenoxy)phenyl]sulfonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[2-(4-isopropyl-3-methyl-phenoxy)phenyl]sulfonylamino]-4-oxo-butanoic acid CAS Name: 3-[[2-(3-methyl-4-propan-2-ylphenoxy)phenyl]sulfonylamino]-4-oxobutanoic acid IUPAC Name: 3-[[2-(3-methyl-4-propan-2-ylphenoxy)phenyl]sulfonylamino]-4-oxobutanoic acid Traditional Name: 3-[[2-(4-isopropyl-3-methyl-phenoxy)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)OC2=CC=CC=C2S(=O)(=O)NC(CC(=O)O)C=O)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=CC=CC=C2S(=O)(=O)NC(CC(=O)O)C=O)C(C)C

InChI

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