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

Systemtic Name: 4-methoxy-3-[[1-(4-methoxyphenyl)-3-oxidanylidene-3-propan-2-yloxy-propyl]sulfamoyl]benzoic acid Openeye Name: 3-[[3-isopropoxy-1-(4-methoxyphenyl)-3-oxo-propyl]sulfamoyl]-4-methoxy-benzoic acid CAS Name: 4-methoxy-3-[[1-(4-methoxyphenyl)-3-oxo-3-propan-2-yloxypropyl]sulfamoyl]benzoic acid IUPAC Name: 4-methoxy-3-[[1-(4-methoxyphenyl)-3-oxo-3-propan-2-yloxypropyl]sulfamoyl]benzoic acid Traditional Name: 3-[[3-isopropoxy-3-keto-1-(4-methoxyphenyl)propyl]sulfamoyl]-4-methoxy-benzoic acid Formula: C21H25NO8S MolecularWeight: 451.4901

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO8S/c1-13(2)30-20(23)12-17(14-5-8-16(28-3)9-6-14)22-31(26,27)19-11-15(21(24)25)7-10-18(19)29-4/h5-11,13,17,22H,12H2,1-4H3,(H,24,25)