3-[[1-(4-methoxyphenyl)-3-oxidanylidene-3-propan-2-yloxy-propyl]sulfamoyl]-4,5-dimethyl-benzoic acid

Systemtic Name: 3-[[1-(4-methoxyphenyl)-3-oxidanylidene-3-propan-2-yloxy-propyl]sulfamoyl]-4,5-dimethyl-benzoic acid Openeye Name: 3-[[3-isopropoxy-1-(4-methoxyphenyl)-3-oxo-propyl]sulfamoyl]-4,5-dimethyl-benzoic acid CAS Name: 3-[[1-(4-methoxyphenyl)-3-oxo-3-propan-2-yloxypropyl]sulfamoyl]-4,5-dimethylbenzoic acid IUPAC Name: 3-[[1-(4-methoxyphenyl)-3-oxo-3-propan-2-yloxypropyl]sulfamoyl]-4,5-dimethylbenzoic acid Traditional Name: 3-[[3-isopropoxy-3-keto-1-(4-methoxyphenyl)propyl]sulfamoyl]-4,5-dimethyl-benzoic acid Formula: C22H27NO7S MolecularWeight: 449.51728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO7S/c1-13(2)30-21(24)12-19(16-6-8-18(29-5)9-7-16)23-31(27,28)20-11-17(22(25)26)10-14(3)15(20)4/h6-11,13,19,23H,12H2,1-5H3,(H,25,26)