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

Systemtic Name: 4-methoxy-3-[[1-(4-methylphenyl)-3-oxidanylidene-3-propan-2-yloxy-propyl]sulfamoyl]benzoic acid Openeye Name: 3-[[3-isopropoxy-3-oxo-1-(p-tolyl)propyl]sulfamoyl]-4-methoxy-benzoic acid CAS Name: 4-methoxy-3-[[1-(4-methylphenyl)-3-oxo-3-propan-2-yloxypropyl]sulfamoyl]benzoic acid IUPAC Name: 4-methoxy-3-[[1-(4-methylphenyl)-3-oxo-3-propan-2-yloxypropyl]sulfamoyl]benzoic acid Traditional Name: 3-[[3-isopropoxy-3-keto-1-(p-tolyl)propyl]sulfamoyl]-4-methoxy-benzoic acid Formula: C21H25NO7S MolecularWeight: 435.4907

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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=C(C=CC(=C2)C(=O)O)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO7S/c1-13(2)29-20(23)12-17(15-7-5-14(3)6-8-15)22-30(26,27)19-11-16(21(24)25)9-10-18(19)28-4/h5-11,13,17,22H,12H2,1-4H3,(H,24,25)