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

Systemtic Name: 3-[[2-(4-butan-2-yl-3-methyl-phenoxy)phenyl]sulfonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[2-(3-methyl-4-sec-butyl-phenoxy)phenyl]sulfonylamino]-4-oxo-butanoic acid CAS Name: 3-[[2-(4-butan-2-yl-3-methylphenoxy)phenyl]sulfonylamino]-4-oxobutanoic acid IUPAC Name: 3-[[2-(4-butan-2-yl-3-methylphenoxy)phenyl]sulfonylamino]-4-oxobutanoic acid Traditional Name: 4-keto-3-[[2-(3-methyl-4-sec-butyl-phenoxy)phenyl]sulfonylamino]butyric acid Formula: C21H25NO6S MolecularWeight: 419.4913

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO6S/c1-4-14(2)18-10-9-17(11-15(18)3)28-19-7-5-6-8-20(19)29(26,27)22-16(13-23)12-21(24)25/h5-11,13-14,16,22H,4,12H2,1-3H3,(H,24,25)