3-[4-[[1-(4-methoxyphenyl)-3-oxidanylidene-3-propan-2-yloxy-propyl]sulfamoyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[[1-(4-methoxyphenyl)-3-oxidanylidene-3-propan-2-yloxy-propyl]sulfamoyl]phenyl]propanoic acid Openeye Name: 3-[4-[[3-isopropoxy-1-(4-methoxyphenyl)-3-oxo-propyl]sulfamoyl]phenyl]propanoic acid CAS Name: 3-[4-[[1-(4-methoxyphenyl)-3-oxo-3-propan-2-yloxypropyl]sulfamoyl]phenyl]propanoic acid IUPAC Name: 3-[4-[[1-(4-methoxyphenyl)-3-oxo-3-propan-2-yloxypropyl]sulfamoyl]phenyl]propanoic acid Traditional Name: 3-[4-[[3-isopropoxy-3-keto-1-(4-methoxyphenyl)propyl]sulfamoyl]phenyl]propionic acid Formula: C22H27NO7S MolecularWeight: 449.51728

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CC(C1=CC=C(C=C1)OC)NS(=O)(=O)C2=CC=C(C=C2)CCC(=O)O

Isomeric SMILES

CC(C)OC(=O)CC(C1=CC=C(C=C1)OC)NS(=O)(=O)C2=CC=C(C=C2)CCC(=O)O

InChI

InChI=1S/C22H27NO7S/c1-15(2)30-22(26)14-20(17-7-9-18(29-3)10-8-17)23-31(27,28)19-11-4-16(5-12-19)6-13-21(24)25/h4-5,7-12,15,20,23H,6,13-14H2,1-3H3,(H,24,25)