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

Systemtic Name: 3-[4-[[1-(4-methylphenyl)-3-oxidanylidene-3-propan-2-yloxy-propyl]sulfamoyl]phenyl]propanoic acid Openeye Name: 3-[4-[[3-isopropoxy-3-oxo-1-(p-tolyl)propyl]sulfamoyl]phenyl]propanoic acid CAS Name: 3-[4-[[1-(4-methylphenyl)-3-oxo-3-propan-2-yloxypropyl]sulfamoyl]phenyl]propanoic acid IUPAC Name: 3-[4-[[1-(4-methylphenyl)-3-oxo-3-propan-2-yloxypropyl]sulfamoyl]phenyl]propanoic acid Traditional Name: 3-[4-[[3-isopropoxy-3-keto-1-(p-tolyl)propyl]sulfamoyl]phenyl]propionic acid Formula: C22H27NO6S MolecularWeight: 433.51788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(=O)OC(C)C)NS(=O)(=O)C2=CC=C(C=C2)CCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(CC(=O)OC(C)C)NS(=O)(=O)C2=CC=C(C=C2)CCC(=O)O

InChI

InChI=1S/C22H27NO6S/c1-15(2)29-22(26)14-20(18-9-4-16(3)5-10-18)23-30(27,28)19-11-6-17(7-12-19)8-13-21(24)25/h4-7,9-12,15,20,23H,8,13-14H2,1-3H3,(H,24,25)